4-amino-N-benzyl-5-cyano-6-ethoxypyridine-2-carboxamide

C16H16N4O2 — CID 11846461

IUPAC4-amino-N-benzyl-5-cyano-6-ethoxypyridine-2-carboxamide
SMILESCCOc1nc(C(=O)NCc2ccccc2)cc(N)c1C#N
InChIInChI=1S/C16H16N4O2/c1-2-22-16-12(9-17)13(18)8-14(20-16)15(21)19-10-11-6-4-3-5-7-11/h3-8H,2,10H2,1H3,(H2,18,20)(H,19,21)
InChIKeyOIJDKSLOXVWFRV-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.86
Rot. Bonds5

About 4-amino-N-benzyl-5-cyano-6-ethoxypyridine-2-carboxamide

4-amino-N-benzyl-5-cyano-6-ethoxypyridine-2-carboxamide (PubChem CID 11846461) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 4-amino-N-benzyl-5-cyano-6-ethoxypyridine-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-benzyl-5-cyano-6-ethoxypyridine-2-carboxamide
PubChem CID11846461
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name4-amino-N-benzyl-5-cyano-6-ethoxypyridine-2-carboxamide
SMILESCCOc1nc(C(=O)NCc2ccccc2)cc(N)c1C#N
InChIInChI=1S/C16H16N4O2/c1-2-22-16-12(9-17)13(18)8-14(20-16)15(21)19-10-11-6-4-3-5-7-11/h3-8H,2,10H2,1H3,(H2,18,20)(H,19,21)
InChIKeyOIJDKSLOXVWFRV-UHFFFAOYSA-N
XLogP1.86
TPSA101.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-Cyano-N-(2,5-dimethoxybenzyl)-6-ethoxypyridine-2-carboxamide
CID 9543521
2-Pyridinecarboxamide, 4-amino-5-cyano-6-ethoxy-N-[[4-(methylsulfonyl)phenyl]methyl]-
CID 11846124
4-amino-5-cyano-6-ethoxy-N-[(2-sulfamoylphenyl)methyl]pyridine-2-carboxamide
CID 11846125
4-amino-5-cyano-6-ethoxy-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 11846126
4-(5-{[(4-Amino-5-cyano-6-ethoxypyridin-2-yl)formamido]methyl}pyridin-2-yl)benzoic acid
CID 11846287
4-amino-5-cyano-N-(2,5-dimethoxybenzyl)-6-ethoxypyridine-2-carboxamide
CID 11846459
6-(4-(2-(Benzylamino)ethyl)phenoxy)picolinamide
CID 44434931
5-Cyano-6-ethoxy-pyridine-2-carboxylic acid 4-methanesulfonyl-benzylamide
CID 11846294
4-amino-5-cyano-6-ethoxy-N-methylpyridine-2-carboxamide
CID 11846458
N-(4-(methylsulfonyl)benzyl)-4-amino-5-cyano-6-isopropoxypicolinamide
CID 16049812
N-(4-(methylsulfonyl)benzyl)-4-amino-5-cyano-6-(cyclopropylmethoxy)picolinamide
CID 16216351
N-(2-aminophenyl)-4-[(3-cyano-6-methyl-2-pyridinyl)oxymethyl]benzamide
CID 20786058

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-benzyl-5-cyano-6-ethoxypyridine-2-carboxamide?
The IUPAC name of 4-amino-N-benzyl-5-cyano-6-ethoxypyridine-2-carboxamide (CID 11846461) is 4-amino-N-benzyl-5-cyano-6-ethoxypyridine-2-carboxamide.
What is the SMILES notation for 4-amino-N-benzyl-5-cyano-6-ethoxypyridine-2-carboxamide?
The canonical SMILES for 4-amino-N-benzyl-5-cyano-6-ethoxypyridine-2-carboxamide is CCOc1nc(C(=O)NCc2ccccc2)cc(N)c1C#N.
What is the InChIKey of 4-amino-N-benzyl-5-cyano-6-ethoxypyridine-2-carboxamide?
The InChIKey is OIJDKSLOXVWFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-2-22-16-12(9-17)13(18)8-14(20-16)15(21)19-10-11-6-4-3-5-7-11/h3-8H,2,10H2,1H3,(H2,18,20)(H,19,21).
What are the key properties of 4-amino-N-benzyl-5-cyano-6-ethoxypyridine-2-carboxamide?
4-amino-N-benzyl-5-cyano-6-ethoxypyridine-2-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-benzyl-5-cyano-6-ethoxypyridine-2-carboxamide is sourced from PubChem (CID 11846461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).