4-amino-5-cyano-6-ethoxy-N-[[6-[3-(methylcarbamoyl)phenyl]-3-pyridinyl]methyl]pyridine-2-carboxamide

C23H22N6O3 — CID 66920815

IUPAC4-amino-5-cyano-6-ethoxy-N-[[6-[3-(methylcarbamoyl)phenyl]-3-pyridinyl]methyl]pyridine-2-carboxamide
SMILESCCOc1nc(C(=O)NCc2ccc(-c3cccc(C(=O)NC)c3)nc2)cc(N)c1C#N
InChIInChI=1S/C23H22N6O3/c1-3-32-23-17(11-24)18(25)10-20(29-23)22(31)28-13-14-7-8-19(27-12-14)15-5-4-6-16(9-15)21(30)26-2/h4-10,12H,3,13H2,1-2H3,(H2,25,29)(H,26,30)(H,28,31)
InChIKeyQUFQTWAQBSMAHW-UHFFFAOYSA-N
MW430.47 g/mol
LogP2.29
Rot. Bonds7

About 4-amino-5-cyano-6-ethoxy-N-[[6-[3-(methylcarbamoyl)phenyl]-3-pyridinyl]methyl]pyridine-2-carboxamide

4-amino-5-cyano-6-ethoxy-N-[[6-[3-(methylcarbamoyl)phenyl]-3-pyridinyl]methyl]pyridine-2-carboxamide (PubChem CID 66920815) has the molecular formula C23H22N6O3 and a molecular weight of 430.47 g/mol. Its IUPAC name is 4-amino-5-cyano-6-ethoxy-N-[[6-[3-(methylcarbamoyl)phenyl]-3-pyridinyl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-amino-5-cyano-6-ethoxy-N-[[6-[3-(methylcarbamoyl)phenyl]-3-pyridinyl]methyl]pyridine-2-carboxamide
PubChem CID66920815
Molecular FormulaC23H22N6O3
Molecular Weight430.47 g/mol
Exact Mass430.18
IUPAC Name4-amino-5-cyano-6-ethoxy-N-[[6-[3-(methylcarbamoyl)phenyl]-3-pyridinyl]methyl]pyridine-2-carboxamide
SMILESCCOc1nc(C(=O)NCc2ccc(-c3cccc(C(=O)NC)c3)nc2)cc(N)c1C#N
InChIInChI=1S/C23H22N6O3/c1-3-32-23-17(11-24)18(25)10-20(29-23)22(31)28-13-14-7-8-19(27-12-14)15-5-4-6-16(9-15)21(30)26-2/h4-10,12H,3,13H2,1-2H3,(H2,25,29)(H,26,30)(H,28,31)
InChIKeyQUFQTWAQBSMAHW-UHFFFAOYSA-N
XLogP2.29
TPSA143.02 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.47
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-amino-5-cyano-6-ethoxy-N-[[6-[3-(methylcarbamoyl)phenyl]-3-pyridinyl]methyl]pyridine-2-carboxamide with MolForge

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Related Compounds

4-[[(4-amino-5-cyano-6-ethoxypyridine-2-carbonyl)amino]methyl]benzoic acid
CID 66920940
4-amino-5-cyano-6-ethoxy-N-[(6-methylsulfonyl-3-pyridinyl)methyl]pyridine-2-carboxamide
CID 66920733
4-amino-5-cyano-6-ethoxy-N-[(3-fluorophenyl)methyl]pyridine-2-carboxamide
CID 11493365
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-[(4-fluoro-3-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 66920814
4-amino-5-cyano-6-ethoxy-N-[(4-morpholin-4-ylphenyl)methyl]pyridine-2-carboxamide
CID 66920795
4-amino-5-cyano-6-ethoxy-N-(2-pyridin-3-ylethyl)pyridine-2-carboxamide
CID 70924870
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
2-N-[[6-(3-aminophenyl)-3-pyridinyl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 70300494
4-amino-2-ethoxy-6-formylpyridine-3-carbonitrile;N'-methylbenzohydrazide
CID 143926815
4-amino-5-cyano-6-ethoxy-N-[[1-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]piperidin-4-yl]methyl]pyridine-2-carboxamide
CID 58503955

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-cyano-6-ethoxy-N-[[6-[3-(methylcarbamoyl)phenyl]-3-pyridinyl]methyl]pyridine-2-carboxamide?
The IUPAC name of 4-amino-5-cyano-6-ethoxy-N-[[6-[3-(methylcarbamoyl)phenyl]-3-pyridinyl]methyl]pyridine-2-carboxamide (CID 66920815) is 4-amino-5-cyano-6-ethoxy-N-[[6-[3-(methylcarbamoyl)phenyl]-3-pyridinyl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-amino-5-cyano-6-ethoxy-N-[[6-[3-(methylcarbamoyl)phenyl]-3-pyridinyl]methyl]pyridine-2-carboxamide?
The canonical SMILES for 4-amino-5-cyano-6-ethoxy-N-[[6-[3-(methylcarbamoyl)phenyl]-3-pyridinyl]methyl]pyridine-2-carboxamide is CCOc1nc(C(=O)NCc2ccc(-c3cccc(C(=O)NC)c3)nc2)cc(N)c1C#N.
What is the InChIKey of 4-amino-5-cyano-6-ethoxy-N-[[6-[3-(methylcarbamoyl)phenyl]-3-pyridinyl]methyl]pyridine-2-carboxamide?
The InChIKey is QUFQTWAQBSMAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O3/c1-3-32-23-17(11-24)18(25)10-20(29-23)22(31)28-13-14-7-8-19(27-12-14)15-5-4-6-16(9-15)21(30)26-2/h4-10,12H,3,13H2,1-2H3,(H2,25,29)(H,26,30)(H,28,31).
What are the key properties of 4-amino-5-cyano-6-ethoxy-N-[[6-[3-(methylcarbamoyl)phenyl]-3-pyridinyl]methyl]pyridine-2-carboxamide?
4-amino-5-cyano-6-ethoxy-N-[[6-[3-(methylcarbamoyl)phenyl]-3-pyridinyl]methyl]pyridine-2-carboxamide has a molecular weight of 430.47 g/mol, XLogP of 2.29, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-cyano-6-ethoxy-N-[[6-[3-(methylcarbamoyl)phenyl]-3-pyridinyl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 66920815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).