4-[[(4-amino-5-cyano-6-ethoxypyridine-2-carbonyl)amino]methyl]benzoic acid

C17H16N4O4 — CID 66920940

IUPAC4-[[(4-amino-5-cyano-6-ethoxypyridine-2-carbonyl)amino]methyl]benzoic acid
SMILESCCOc1nc(C(=O)NCc2ccc(C(=O)O)cc2)cc(N)c1C#N
InChIInChI=1S/C17H16N4O4/c1-2-25-16-12(8-18)13(19)7-14(21-16)15(22)20-9-10-3-5-11(6-4-10)17(23)24/h3-7H,2,9H2,1H3,(H2,19,21)(H,20,22)(H,23,24)
InChIKeyMHLLQMJARABQIB-UHFFFAOYSA-N
MW340.34 g/mol
LogP1.56
Rot. Bonds6

About 4-[[(4-amino-5-cyano-6-ethoxypyridine-2-carbonyl)amino]methyl]benzoic acid

4-[[(4-amino-5-cyano-6-ethoxypyridine-2-carbonyl)amino]methyl]benzoic acid (PubChem CID 66920940) has the molecular formula C17H16N4O4 and a molecular weight of 340.34 g/mol. Its IUPAC name is 4-[[(4-amino-5-cyano-6-ethoxypyridine-2-carbonyl)amino]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[(4-amino-5-cyano-6-ethoxypyridine-2-carbonyl)amino]methyl]benzoic acid
PubChem CID66920940
Molecular FormulaC17H16N4O4
Molecular Weight340.34 g/mol
Exact Mass340.12
IUPAC Name4-[[(4-amino-5-cyano-6-ethoxypyridine-2-carbonyl)amino]methyl]benzoic acid
SMILESCCOc1nc(C(=O)NCc2ccc(C(=O)O)cc2)cc(N)c1C#N
InChIInChI=1S/C17H16N4O4/c1-2-25-16-12(8-18)13(19)7-14(21-16)15(22)20-9-10-3-5-11(6-4-10)17(23)24/h3-7H,2,9H2,1H3,(H2,19,21)(H,20,22)(H,23,24)
InChIKeyMHLLQMJARABQIB-UHFFFAOYSA-N
XLogP1.56
TPSA138.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[[(4-amino-5-cyano-6-ethoxypyridine-2-carbonyl)amino]methyl]benzoic acid with MolForge

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Related Compounds

4-amino-5-cyano-6-ethoxy-N-[(4-nitrophenyl)methyl]pyridine-2-carboxamide
CID 11522966
4-amino-5-cyano-6-ethoxy-N-[(4-morpholin-4-ylphenyl)methyl]pyridine-2-carboxamide
CID 66920795
4-amino-5-cyano-6-ethoxy-N-[(3-fluorophenyl)methyl]pyridine-2-carboxamide
CID 11493365
4-amino-5-cyano-6-ethoxy-N-[(6-methylsulfonyl-3-pyridinyl)methyl]pyridine-2-carboxamide
CID 66920733
4-amino-5-cyano-6-ethoxy-N-[(4-fluoro-3-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 66920814
4-amino-5-cyano-6-ethoxy-N-[[4-(thiadiazol-5-yl)phenyl]methyl]pyridine-2-carboxamide
CID 66920638
4-amino-5-cyano-6-ethoxy-N-[[6-[3-(methylcarbamoyl)phenyl]-3-pyridinyl]methyl]pyridine-2-carboxamide
CID 66920815
4-amino-5-cyano-N-(cyclopropylmethyl)-6-ethoxypyridine-2-carboxamide
CID 70924791
4-amino-5-cyano-6-ethoxy-N-(3-methylsulfanylpropyl)pyridine-2-carboxamide
CID 66920839
4-amino-5-cyano-6-ethoxy-N-(2-pyridin-3-ylethyl)pyridine-2-carboxamide
CID 70924870
4-amino-5-cyano-6-ethoxy-N-[(4-methylpiperidin-4-yl)methyl]pyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 87227068
N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-phenylacetamide
CID 11558435

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-amino-5-cyano-6-ethoxypyridine-2-carbonyl)amino]methyl]benzoic acid?
The IUPAC name of 4-[[(4-amino-5-cyano-6-ethoxypyridine-2-carbonyl)amino]methyl]benzoic acid (CID 66920940) is 4-[[(4-amino-5-cyano-6-ethoxypyridine-2-carbonyl)amino]methyl]benzoic acid.
What is the SMILES notation for 4-[[(4-amino-5-cyano-6-ethoxypyridine-2-carbonyl)amino]methyl]benzoic acid?
The canonical SMILES for 4-[[(4-amino-5-cyano-6-ethoxypyridine-2-carbonyl)amino]methyl]benzoic acid is CCOc1nc(C(=O)NCc2ccc(C(=O)O)cc2)cc(N)c1C#N.
What is the InChIKey of 4-[[(4-amino-5-cyano-6-ethoxypyridine-2-carbonyl)amino]methyl]benzoic acid?
The InChIKey is MHLLQMJARABQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4/c1-2-25-16-12(8-18)13(19)7-14(21-16)15(22)20-9-10-3-5-11(6-4-10)17(23)24/h3-7H,2,9H2,1H3,(H2,19,21)(H,20,22)(H,23,24).
What are the key properties of 4-[[(4-amino-5-cyano-6-ethoxypyridine-2-carbonyl)amino]methyl]benzoic acid?
4-[[(4-amino-5-cyano-6-ethoxypyridine-2-carbonyl)amino]methyl]benzoic acid has a molecular weight of 340.34 g/mol, XLogP of 1.56, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-amino-5-cyano-6-ethoxypyridine-2-carbonyl)amino]methyl]benzoic acid is sourced from PubChem (CID 66920940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).