3-amino-N-[(6-amino-2-pyridinyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;6-(aminomethyl)pyridin-2-amine;6-aminopyridine-2-carbonitrile

C46H43N19O7 — CID 159662712

IUPAC3-amino-N-[(6-amino-2-pyridinyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;6-(aminomethyl)pyridin-2-amine;6-aminopyridine-2-carbonitrile
SMILESCn1cc(-c2nc(C(=O)NCc3cccc(N)n3)c(N)nc2-c2ncco2)ccc1=O.Cn1cc(-c2nc(C(=O)O)c(N)nc2-c2ncco2)ccc1=O.N#Cc1cccc(N)n1.NCc1cccc(N)n1
InChIInChI=1S/C20H18N8O3.C14H11N5O4.C6H9N3.C6H5N3/c1-28-10-11(5-6-14(28)29)15-16(20-23-7-8-31-20)27-18(22)17(26-15)19(30)24-9-12-3-2-4-13(21)25-12;1-19-6-7(2-3-8(19)20)9-10(13-16-4-5-23-13)18-12(15)11(17-9)14(21)22;2*7-4-5-2-1-3-6(8)9-5/h2-8,10H,9H2,1H3,(H2,21,25)(H2,22,27)(H,24,30);2-6H,1H3,(H2,15,18)(H,21,22);1-3H,4,7H2,(H2,8,9);1-3H,(H2,8,9)
InChIKeyMTABKJAYWTYRSQ-UHFFFAOYSA-N
MW973.98 g/mol
LogP2.42
Rot. Bonds9

About 3-amino-N-[(6-amino-2-pyridinyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;6-(aminomethyl)pyridin-2-amine;6-aminopyridine-2-carbonitrile

3-amino-N-[(6-amino-2-pyridinyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;6-(aminomethyl)pyridin-2-amine;6-aminopyridine-2-carbonitrile (PubChem CID 159662712) has the molecular formula C46H43N19O7 and a molecular weight of 973.98 g/mol. Its IUPAC name is 3-amino-N-[(6-amino-2-pyridinyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;6-(aminomethyl)pyridin-2-amine;6-aminopyridine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-N-[(6-amino-2-pyridinyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;6-(aminomethyl)pyridin-2-amine;6-aminopyridine-2-carbonitrile
PubChem CID159662712
Molecular FormulaC46H43N19O7
Molecular Weight973.98 g/mol
Exact Mass973.36
IUPAC Name3-amino-N-[(6-amino-2-pyridinyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;6-(aminomethyl)pyridin-2-amine;6-aminopyridine-2-carbonitrile
SMILESCn1cc(-c2nc(C(=O)NCc3cccc(N)n3)c(N)nc2-c2ncco2)ccc1=O.Cn1cc(-c2nc(C(=O)O)c(N)nc2-c2ncco2)ccc1=O.N#Cc1cccc(N)n1.NCc1cccc(N)n1
InChIInChI=1S/C20H18N8O3.C14H11N5O4.C6H9N3.C6H5N3/c1-28-10-11(5-6-14(28)29)15-16(20-23-7-8-31-20)27-18(22)17(26-15)19(30)24-9-12-3-2-4-13(21)25-12;1-19-6-7(2-3-8(19)20)9-10(13-16-4-5-23-13)18-12(15)11(17-9)14(21)22;2*7-4-5-2-1-3-6(8)9-5/h2-8,10H,9H2,1H3,(H2,21,25)(H2,22,27)(H,24,30);2-6H,1H3,(H2,15,18)(H,21,22);1-3H,4,7H2,(H2,8,9);1-3H,(H2,8,9)
InChIKeyMTABKJAYWTYRSQ-UHFFFAOYSA-N
XLogP2.42
TPSA432.60 Ų
H-Bond Donors8
H-Bond Acceptors24
Rotatable Bonds9
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500973.98
LogP ≤ 52.42
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1024

Analyze 3-amino-N-[(6-amino-2-pyridinyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;6-(aminomethyl)pyridin-2-amine;6-aminopyridine-2-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(6-amino-2-pyridinyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;6-(aminomethyl)pyridin-2-amine;6-aminopyridine-2-carbonitrile?
The IUPAC name of 3-amino-N-[(6-amino-2-pyridinyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;6-(aminomethyl)pyridin-2-amine;6-aminopyridine-2-carbonitrile (CID 159662712) is 3-amino-N-[(6-amino-2-pyridinyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;6-(aminomethyl)pyridin-2-amine;6-aminopyridine-2-carbonitrile.
What is the SMILES notation for 3-amino-N-[(6-amino-2-pyridinyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;6-(aminomethyl)pyridin-2-amine;6-aminopyridine-2-carbonitrile?
The canonical SMILES for 3-amino-N-[(6-amino-2-pyridinyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;6-(aminomethyl)pyridin-2-amine;6-aminopyridine-2-carbonitrile is Cn1cc(-c2nc(C(=O)NCc3cccc(N)n3)c(N)nc2-c2ncco2)ccc1=O.Cn1cc(-c2nc(C(=O)O)c(N)nc2-c2ncco2)ccc1=O.N#Cc1cccc(N)n1.NCc1cccc(N)n1.
What is the InChIKey of 3-amino-N-[(6-amino-2-pyridinyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;6-(aminomethyl)pyridin-2-amine;6-aminopyridine-2-carbonitrile?
The InChIKey is MTABKJAYWTYRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N8O3.C14H11N5O4.C6H9N3.C6H5N3/c1-28-10-11(5-6-14(28)29)15-16(20-23-7-8-31-20)27-18(22)17(26-15)19(30)24-9-12-3-2-4-13(21)25-12;1-19-6-7(2-3-8(19)20)9-10(13-16-4-5-23-13)18-12(15)11(17-9)14(21)22;2*7-4-5-2-1-3-6(8)9-5/h2-8,10H,9H2,1H3,(H2,21,25)(H2,22,27)(H,24,30);2-6H,1H3,(H2,15,18)(H,21,22);1-3H,4,7H2,(H2,8,9);1-3H,(H2,8,9).
What are the key properties of 3-amino-N-[(6-amino-2-pyridinyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;6-(aminomethyl)pyridin-2-amine;6-aminopyridine-2-carbonitrile?
3-amino-N-[(6-amino-2-pyridinyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;6-(aminomethyl)pyridin-2-amine;6-aminopyridine-2-carbonitrile has a molecular weight of 973.98 g/mol, XLogP of 2.42, 9 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(6-amino-2-pyridinyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide;3-amino-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxylic acid;6-(aminomethyl)pyridin-2-amine;6-aminopyridine-2-carbonitrile is sourced from PubChem (CID 159662712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).