2-amino-6-methylpyrimidine-4-carboxamide;2-aminopyridine-4-carboxamide;3-aminopyridine-4-carboxamide;2-aminopyrimidine-4-carboxamide;3-bromo-1H-pyrrolo[2,3-b]pyridine-4-carboxamide;2-ethylpyridine-4-carboxamide;2-(methylamino)pyridine-4-carboxamide;7H-purine-6-carboxamide;pyridine-4-carboxamide;1H-pyrrolo[2,3-b]pyridine-3-carboxamide;1H-pyrrolo[2,3-b]pyridine-4-carboxamide;7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide;quinoline-4-carboxamide;quinoline-5-carboxamide

C101H100BrN43O14 — CID 158385254

IUPAC2-amino-6-methylpyrimidine-4-carboxamide;2-aminopyridine-4-carboxamide;3-aminopyridine-4-carboxamide;2-aminopyrimidine-4-carboxamide;3-bromo-1H-pyrrolo[2,3-b]pyridine-4-carboxamide;2-ethylpyridine-4-carboxamide;2-(methylamino)pyridine-4-carboxamide;7H-purine-6-carboxamide;pyridine-4-carboxamide;1H-pyrrolo[2,3-b]pyridine-3-carboxamide;1H-pyrrolo[2,3-b]pyridine-4-carboxamide;7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide;quinoline-4-carboxamide;quinoline-5-carboxamide
SMILESCCc1cc(C(N)=O)ccn1.CNc1cc(C(N)=O)ccn1.Cc1cc(C(N)=O)nc(N)n1.NC(=O)c1c[nH]c2ncccc12.NC(=O)c1cccc2ncccc12.NC(=O)c1ccnc(N)c1.NC(=O)c1ccnc(N)n1.NC(=O)c1ccnc2[nH]cc(Br)c12.NC(=O)c1ccnc2[nH]ccc12.NC(=O)c1ccnc2ccccc12.NC(=O)c1ccncc1.NC(=O)c1ccncc1N.NC(=O)c1ncnc2[nH]ccc12.NC(=O)c1ncnc2nc[nH]c12
InChIInChI=1S/2C10H8N2O.C8H6BrN3O.2C8H7N3O.C8H10N2O.C7H6N4O.C7H9N3O.C6H5N5O.C6H8N4O.2C6H7N3O.C6H6N2O.C5H6N4O/c11-10(13)8-3-1-5-9-7(8)4-2-6-12-9;11-10(13)8-5-6-12-9-4-2-1-3-7(8)9;9-5-3-12-8-6(5)4(7(10)13)1-2-11-8;9-7(12)5-1-3-10-8-6(5)2-4-11-8;9-7(12)6-4-11-8-5(6)2-1-3-10-8;1-2-7-5-6(8(9)11)3-4-10-7;8-6(12)5-4-1-2-9-7(4)11-3-10-5;1-9-6-4-5(7(8)11)2-3-10-6;7-5(12)3-4-6(10-1-8-3)11-2-9-4;1-3-2-4(5(7)11)10-6(8)9-3;7-5-3-9-2-1-4(5)6(8)10;7-5-3-4(6(8)10)1-2-9-5;7-6(9)5-1-3-8-4-2-5;6-4(10)3-1-2-8-5(7)9-3/h2*1-6H,(H2,11,13);1-3H,(H2,10,13)(H,11,12);2*1-4H,(H2,9,12)(H,10,11);3-5H,2H2,1H3,(H2,9,11);1-3H,(H2,8,12)(H,9,10,11);2-4H,1H3,(H2,8,11)(H,9,10);1-2H,(H2,7,12)(H,8,9,10,11);2H,1H3,(H2,7,11)(H2,8,9,10);1-3H,7H2,(H2,8,10);1-3H,(H2,7,9)(H2,8,10);1-4H,(H2,7,9);1-2H,(H2,6,10)(H2,7,8,9)
InChIKeyGWHFAADOXGTBSF-UHFFFAOYSA-N
MW2220.10 g/mol
LogP4.22
Rot. Bonds16

About 2-amino-6-methylpyrimidine-4-carboxamide;2-aminopyridine-4-carboxamide;3-aminopyridine-4-carboxamide;2-aminopyrimidine-4-carboxamide;3-bromo-1H-pyrrolo[2,3-b]pyridine-4-carboxamide;2-ethylpyridine-4-carboxamide;2-(methylamino)pyridine-4-carboxamide;7H-purine-6-carboxamide;pyridine-4-carboxamide;1H-pyrrolo[2,3-b]pyridine-3-carboxamide;1H-pyrrolo[2,3-b]pyridine-4-carboxamide;7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide;quinoline-4-carboxamide;quinoline-5-carboxamide

2-amino-6-methylpyrimidine-4-carboxamide;2-aminopyridine-4-carboxamide;3-aminopyridine-4-carboxamide;2-aminopyrimidine-4-carboxamide;3-bromo-1H-pyrrolo[2,3-b]pyridine-4-carboxamide;2-ethylpyridine-4-carboxamide;2-(methylamino)pyridine-4-carboxamide;7H-purine-6-carboxamide;pyridine-4-carboxamide;1H-pyrrolo[2,3-b]pyridine-3-carboxamide;1H-pyrrolo[2,3-b]pyridine-4-carboxamide;7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide;quinoline-4-carboxamide;quinoline-5-carboxamide (PubChem CID 158385254) has the molecular formula C101H100BrN43O14 and a molecular weight of 2220.10 g/mol. Its IUPAC name is 2-amino-6-methylpyrimidine-4-carboxamide;2-aminopyridine-4-carboxamide;3-aminopyridine-4-carboxamide;2-aminopyrimidine-4-carboxamide;3-bromo-1H-pyrrolo[2,3-b]pyridine-4-carboxamide;2-ethylpyridine-4-carboxamide;2-(methylamino)pyridine-4-carboxamide;7H-purine-6-carboxamide;pyridine-4-carboxamide;1H-pyrrolo[2,3-b]pyridine-3-carboxamide;1H-pyrrolo[2,3-b]pyridine-4-carboxamide;7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide;quinoline-4-carboxamide;quinoline-5-carboxamide.

Molecular Properties

Compound Name2-amino-6-methylpyrimidine-4-carboxamide;2-aminopyridine-4-carboxamide;3-aminopyridine-4-carboxamide;2-aminopyrimidine-4-carboxamide;3-bromo-1H-pyrrolo[2,3-b]pyridine-4-carboxamide;2-ethylpyridine-4-carboxamide;2-(methylamino)pyridine-4-carboxamide;7H-purine-6-carboxamide;pyridine-4-carboxamide;1H-pyrrolo[2,3-b]pyridine-3-carboxamide;1H-pyrrolo[2,3-b]pyridine-4-carboxamide;7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide;quinoline-4-carboxamide;quinoline-5-carboxamide
PubChem CID158385254
Molecular FormulaC101H100BrN43O14
Molecular Weight2220.10 g/mol
Exact Mass2217.76
IUPAC Name2-amino-6-methylpyrimidine-4-carboxamide;2-aminopyridine-4-carboxamide;3-aminopyridine-4-carboxamide;2-aminopyrimidine-4-carboxamide;3-bromo-1H-pyrrolo[2,3-b]pyridine-4-carboxamide;2-ethylpyridine-4-carboxamide;2-(methylamino)pyridine-4-carboxamide;7H-purine-6-carboxamide;pyridine-4-carboxamide;1H-pyrrolo[2,3-b]pyridine-3-carboxamide;1H-pyrrolo[2,3-b]pyridine-4-carboxamide;7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide;quinoline-4-carboxamide;quinoline-5-carboxamide
SMILESCCc1cc(C(N)=O)ccn1.CNc1cc(C(N)=O)ccn1.Cc1cc(C(N)=O)nc(N)n1.NC(=O)c1c[nH]c2ncccc12.NC(=O)c1cccc2ncccc12.NC(=O)c1ccnc(N)c1.NC(=O)c1ccnc(N)n1.NC(=O)c1ccnc2[nH]cc(Br)c12.NC(=O)c1ccnc2[nH]ccc12.NC(=O)c1ccnc2ccccc12.NC(=O)c1ccncc1.NC(=O)c1ccncc1N.NC(=O)c1ncnc2[nH]ccc12.NC(=O)c1ncnc2nc[nH]c12
InChIInChI=1S/2C10H8N2O.C8H6BrN3O.2C8H7N3O.C8H10N2O.C7H6N4O.C7H9N3O.C6H5N5O.C6H8N4O.2C6H7N3O.C6H6N2O.C5H6N4O/c11-10(13)8-3-1-5-9-7(8)4-2-6-12-9;11-10(13)8-5-6-12-9-4-2-1-3-7(8)9;9-5-3-12-8-6(5)4(7(10)13)1-2-11-8;9-7(12)5-1-3-10-8-6(5)2-4-11-8;9-7(12)6-4-11-8-5(6)2-1-3-10-8;1-2-7-5-6(8(9)11)3-4-10-7;8-6(12)5-4-1-2-9-7(4)11-3-10-5;1-9-6-4-5(7(8)11)2-3-10-6;7-5(12)3-4-6(10-1-8-3)11-2-9-4;1-3-2-4(5(7)11)10-6(8)9-3;7-5-3-9-2-1-4(5)6(8)10;7-5-3-4(6(8)10)1-2-9-5;7-6(9)5-1-3-8-4-2-5;6-4(10)3-1-2-8-5(7)9-3/h2*1-6H,(H2,11,13);1-3H,(H2,10,13)(H,11,12);2*1-4H,(H2,9,12)(H,10,11);3-5H,2H2,1H3,(H2,9,11);1-3H,(H2,8,12)(H,9,10,11);2-4H,1H3,(H2,8,11)(H,9,10);1-2H,(H2,7,12)(H,8,9,10,11);2H,1H3,(H2,7,11)(H2,8,9,10);1-3H,7H2,(H2,8,10);1-3H,(H2,7,9)(H2,8,10);1-4H,(H2,7,9);1-2H,(H2,6,10)(H2,7,8,9)
InChIKeyGWHFAADOXGTBSF-UHFFFAOYSA-N
XLogP4.22
TPSA1043.23 Ų
H-Bond Donors24
H-Bond Acceptors38
Rotatable Bonds16
Heavy Atoms159
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002220.10
LogP ≤ 54.22
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1038

Analyze 2-amino-6-methylpyrimidine-4-carboxamide;2-aminopyridine-4-carboxamide;3-aminopyridine-4-carboxamide;2-aminopyrimidine-4-carboxamide;3-bromo-1H-pyrrolo[2,3-b]pyridine-4-carboxamide;2-ethylpyridine-4-carboxamide;2-(methylamino)pyridine-4-carboxamide;7H-purine-6-carboxamide;pyridine-4-carboxamide;1H-pyrrolo[2,3-b]pyridine-3-carboxamide;1H-pyrrolo[2,3-b]pyridine-4-carboxamide;7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide;quinoline-4-carboxamide;quinoline-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methylpyrimidine-4-carboxamide;2-aminopyridine-4-carboxamide;3-aminopyridine-4-carboxamide;2-aminopyrimidine-4-carboxamide;3-bromo-1H-pyrrolo[2,3-b]pyridine-4-carboxamide;2-ethylpyridine-4-carboxamide;2-(methylamino)pyridine-4-carboxamide;7H-purine-6-carboxamide;pyridine-4-carboxamide;1H-pyrrolo[2,3-b]pyridine-3-carboxamide;1H-pyrrolo[2,3-b]pyridine-4-carboxamide;7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide;quinoline-4-carboxamide;quinoline-5-carboxamide?
The IUPAC name of 2-amino-6-methylpyrimidine-4-carboxamide;2-aminopyridine-4-carboxamide;3-aminopyridine-4-carboxamide;2-aminopyrimidine-4-carboxamide;3-bromo-1H-pyrrolo[2,3-b]pyridine-4-carboxamide;2-ethylpyridine-4-carboxamide;2-(methylamino)pyridine-4-carboxamide;7H-purine-6-carboxamide;pyridine-4-carboxamide;1H-pyrrolo[2,3-b]pyridine-3-carboxamide;1H-pyrrolo[2,3-b]pyridine-4-carboxamide;7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide;quinoline-4-carboxamide;quinoline-5-carboxamide (CID 158385254) is 2-amino-6-methylpyrimidine-4-carboxamide;2-aminopyridine-4-carboxamide;3-aminopyridine-4-carboxamide;2-aminopyrimidine-4-carboxamide;3-bromo-1H-pyrrolo[2,3-b]pyridine-4-carboxamide;2-ethylpyridine-4-carboxamide;2-(methylamino)pyridine-4-carboxamide;7H-purine-6-carboxamide;pyridine-4-carboxamide;1H-pyrrolo[2,3-b]pyridine-3-carboxamide;1H-pyrrolo[2,3-b]pyridine-4-carboxamide;7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide;quinoline-4-carboxamide;quinoline-5-carboxamide.
What is the SMILES notation for 2-amino-6-methylpyrimidine-4-carboxamide;2-aminopyridine-4-carboxamide;3-aminopyridine-4-carboxamide;2-aminopyrimidine-4-carboxamide;3-bromo-1H-pyrrolo[2,3-b]pyridine-4-carboxamide;2-ethylpyridine-4-carboxamide;2-(methylamino)pyridine-4-carboxamide;7H-purine-6-carboxamide;pyridine-4-carboxamide;1H-pyrrolo[2,3-b]pyridine-3-carboxamide;1H-pyrrolo[2,3-b]pyridine-4-carboxamide;7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide;quinoline-4-carboxamide;quinoline-5-carboxamide?
The canonical SMILES for 2-amino-6-methylpyrimidine-4-carboxamide;2-aminopyridine-4-carboxamide;3-aminopyridine-4-carboxamide;2-aminopyrimidine-4-carboxamide;3-bromo-1H-pyrrolo[2,3-b]pyridine-4-carboxamide;2-ethylpyridine-4-carboxamide;2-(methylamino)pyridine-4-carboxamide;7H-purine-6-carboxamide;pyridine-4-carboxamide;1H-pyrrolo[2,3-b]pyridine-3-carboxamide;1H-pyrrolo[2,3-b]pyridine-4-carboxamide;7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide;quinoline-4-carboxamide;quinoline-5-carboxamide is CCc1cc(C(N)=O)ccn1.CNc1cc(C(N)=O)ccn1.Cc1cc(C(N)=O)nc(N)n1.NC(=O)c1c[nH]c2ncccc12.NC(=O)c1cccc2ncccc12.NC(=O)c1ccnc(N)c1.NC(=O)c1ccnc(N)n1.NC(=O)c1ccnc2[nH]cc(Br)c12.NC(=O)c1ccnc2[nH]ccc12.NC(=O)c1ccnc2ccccc12.NC(=O)c1ccncc1.NC(=O)c1ccncc1N.NC(=O)c1ncnc2[nH]ccc12.NC(=O)c1ncnc2nc[nH]c12.
What is the InChIKey of 2-amino-6-methylpyrimidine-4-carboxamide;2-aminopyridine-4-carboxamide;3-aminopyridine-4-carboxamide;2-aminopyrimidine-4-carboxamide;3-bromo-1H-pyrrolo[2,3-b]pyridine-4-carboxamide;2-ethylpyridine-4-carboxamide;2-(methylamino)pyridine-4-carboxamide;7H-purine-6-carboxamide;pyridine-4-carboxamide;1H-pyrrolo[2,3-b]pyridine-3-carboxamide;1H-pyrrolo[2,3-b]pyridine-4-carboxamide;7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide;quinoline-4-carboxamide;quinoline-5-carboxamide?
The InChIKey is GWHFAADOXGTBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H8N2O.C8H6BrN3O.2C8H7N3O.C8H10N2O.C7H6N4O.C7H9N3O.C6H5N5O.C6H8N4O.2C6H7N3O.C6H6N2O.C5H6N4O/c11-10(13)8-3-1-5-9-7(8)4-2-6-12-9;11-10(13)8-5-6-12-9-4-2-1-3-7(8)9;9-5-3-12-8-6(5)4(7(10)13)1-2-11-8;9-7(12)5-1-3-10-8-6(5)2-4-11-8;9-7(12)6-4-11-8-5(6)2-1-3-10-8;1-2-7-5-6(8(9)11)3-4-10-7;8-6(12)5-4-1-2-9-7(4)11-3-10-5;1-9-6-4-5(7(8)11)2-3-10-6;7-5(12)3-4-6(10-1-8-3)11-2-9-4;1-3-2-4(5(7)11)10-6(8)9-3;7-5-3-9-2-1-4(5)6(8)10;7-5-3-4(6(8)10)1-2-9-5;7-6(9)5-1-3-8-4-2-5;6-4(10)3-1-2-8-5(7)9-3/h2*1-6H,(H2,11,13);1-3H,(H2,10,13)(H,11,12);2*1-4H,(H2,9,12)(H,10,11);3-5H,2H2,1H3,(H2,9,11);1-3H,(H2,8,12)(H,9,10,11);2-4H,1H3,(H2,8,11)(H,9,10);1-2H,(H2,7,12)(H,8,9,10,11);2H,1H3,(H2,7,11)(H2,8,9,10);1-3H,7H2,(H2,8,10);1-3H,(H2,7,9)(H2,8,10);1-4H,(H2,7,9);1-2H,(H2,6,10)(H2,7,8,9).
What are the key properties of 2-amino-6-methylpyrimidine-4-carboxamide;2-aminopyridine-4-carboxamide;3-aminopyridine-4-carboxamide;2-aminopyrimidine-4-carboxamide;3-bromo-1H-pyrrolo[2,3-b]pyridine-4-carboxamide;2-ethylpyridine-4-carboxamide;2-(methylamino)pyridine-4-carboxamide;7H-purine-6-carboxamide;pyridine-4-carboxamide;1H-pyrrolo[2,3-b]pyridine-3-carboxamide;1H-pyrrolo[2,3-b]pyridine-4-carboxamide;7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide;quinoline-4-carboxamide;quinoline-5-carboxamide?
2-amino-6-methylpyrimidine-4-carboxamide;2-aminopyridine-4-carboxamide;3-aminopyridine-4-carboxamide;2-aminopyrimidine-4-carboxamide;3-bromo-1H-pyrrolo[2,3-b]pyridine-4-carboxamide;2-ethylpyridine-4-carboxamide;2-(methylamino)pyridine-4-carboxamide;7H-purine-6-carboxamide;pyridine-4-carboxamide;1H-pyrrolo[2,3-b]pyridine-3-carboxamide;1H-pyrrolo[2,3-b]pyridine-4-carboxamide;7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide;quinoline-4-carboxamide;quinoline-5-carboxamide has a molecular weight of 2220.10 g/mol, XLogP of 4.22, 16 rotatable bonds, 24 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methylpyrimidine-4-carboxamide;2-aminopyridine-4-carboxamide;3-aminopyridine-4-carboxamide;2-aminopyrimidine-4-carboxamide;3-bromo-1H-pyrrolo[2,3-b]pyridine-4-carboxamide;2-ethylpyridine-4-carboxamide;2-(methylamino)pyridine-4-carboxamide;7H-purine-6-carboxamide;pyridine-4-carboxamide;1H-pyrrolo[2,3-b]pyridine-3-carboxamide;1H-pyrrolo[2,3-b]pyridine-4-carboxamide;7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide;quinoline-4-carboxamide;quinoline-5-carboxamide is sourced from PubChem (CID 158385254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).