5-amino-6-(4-bromo-2-ethylanilino)pyridine-2-carboxamide

C14H15BrN4O — CID 114407262

IUPAC5-amino-6-(4-bromo-2-ethylanilino)pyridine-2-carboxamide
SMILESCCc1cc(Br)ccc1Nc1nc(C(N)=O)ccc1N
InChIInChI=1S/C14H15BrN4O/c1-2-8-7-9(15)3-5-11(8)18-14-10(16)4-6-12(19-14)13(17)20/h3-7H,2,16H2,1H3,(H2,17,20)(H,18,19)
InChIKeySJTBAYSGYMANFH-UHFFFAOYSA-N
MW335.21 g/mol
LogP2.83
Rot. Bonds4

About 5-amino-6-(4-bromo-2-ethylanilino)pyridine-2-carboxamide

5-amino-6-(4-bromo-2-ethylanilino)pyridine-2-carboxamide (PubChem CID 114407262) has the molecular formula C14H15BrN4O and a molecular weight of 335.21 g/mol. Its IUPAC name is 5-amino-6-(4-bromo-2-ethylanilino)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-amino-6-(4-bromo-2-ethylanilino)pyridine-2-carboxamide
PubChem CID114407262
Molecular FormulaC14H15BrN4O
Molecular Weight335.21 g/mol
Exact Mass334.04
IUPAC Name5-amino-6-(4-bromo-2-ethylanilino)pyridine-2-carboxamide
SMILESCCc1cc(Br)ccc1Nc1nc(C(N)=O)ccc1N
InChIInChI=1S/C14H15BrN4O/c1-2-8-7-9(15)3-5-11(8)18-14-10(16)4-6-12(19-14)13(17)20/h3-7H,2,16H2,1H3,(H2,17,20)(H,18,19)
InChIKeySJTBAYSGYMANFH-UHFFFAOYSA-N
XLogP2.83
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.21
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-amino-6-(4-bromo-2-ethylanilino)pyridine-2-carboxylate
CID 114407264
5-amino-6-(2,4-dibromoanilino)pyridine-2-carboxamide
CID 114405827
5-amino-6-(5-bromo-2,4-difluoroanilino)pyridine-2-carboxamide
CID 102854816
5-amino-6-(3-ethylanilino)pyridine-2-carboxamide
CID 114405232
5-amino-6-(5-bromo-2-fluoroanilino)pyridine-2-carboxylic acid
CID 114405495
2-N-(4-bromo-2-ethylphenyl)-3-nitropyridine-2,6-diamine
CID 81289863
5-amino-6-(5-bromo-2-methoxyanilino)pyridine-2-carboxylic acid
CID 114405965
5-amino-6-(butan-2-ylamino)pyridine-2-carboxamide
CID 114404937
5-amino-6-(2-tert-butylanilino)pyridine-2-carboxamide
CID 114406741
4-N-(4-bromo-2-ethylphenyl)-2-ethylpyrimidine-4,6-diamine
CID 81289211
2-N-(4-bromo-2-ethylphenyl)-6-propan-2-yloxypyridine-2,5-diamine
CID 81287060
6-N-(4-bromo-2-ethylphenyl)-1H-indazole-5,6-diamine
CID 107490746

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(4-bromo-2-ethylanilino)pyridine-2-carboxamide?
The IUPAC name of 5-amino-6-(4-bromo-2-ethylanilino)pyridine-2-carboxamide (CID 114407262) is 5-amino-6-(4-bromo-2-ethylanilino)pyridine-2-carboxamide.
What is the SMILES notation for 5-amino-6-(4-bromo-2-ethylanilino)pyridine-2-carboxamide?
The canonical SMILES for 5-amino-6-(4-bromo-2-ethylanilino)pyridine-2-carboxamide is CCc1cc(Br)ccc1Nc1nc(C(N)=O)ccc1N.
What is the InChIKey of 5-amino-6-(4-bromo-2-ethylanilino)pyridine-2-carboxamide?
The InChIKey is SJTBAYSGYMANFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4O/c1-2-8-7-9(15)3-5-11(8)18-14-10(16)4-6-12(19-14)13(17)20/h3-7H,2,16H2,1H3,(H2,17,20)(H,18,19).
What are the key properties of 5-amino-6-(4-bromo-2-ethylanilino)pyridine-2-carboxamide?
5-amino-6-(4-bromo-2-ethylanilino)pyridine-2-carboxamide has a molecular weight of 335.21 g/mol, XLogP of 2.83, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(4-bromo-2-ethylanilino)pyridine-2-carboxamide is sourced from PubChem (CID 114407262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).