N-benzyl-N-[2-(cyclohexylamino)-1-(2-ethoxyphenyl)-2-oxoethyl]pyridine-2-carboxamide

C29H33N3O3 — CID 3205958

IUPACN-benzyl-N-[2-(cyclohexylamino)-1-(2-ethoxyphenyl)-2-oxoethyl]pyridine-2-carboxamide
SMILESCCOc1ccccc1C(C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)c1ccccn1
InChIInChI=1S/C29H33N3O3/c1-2-35-26-19-10-9-17-24(26)27(28(33)31-23-15-7-4-8-16-23)32(21-22-13-5-3-6-14-22)29(34)25-18-11-12-20-30-25/h3,5-6,9-14,17-20,23,27H,2,4,7-8,15-16,21H2,1H3,(H,31,33)
InChIKeyDHRZHQUAZFKOOV-UHFFFAOYSA-N
MW471.60 g/mol
LogP5.31
Rot. Bonds9

About N-benzyl-N-[2-(cyclohexylamino)-1-(2-ethoxyphenyl)-2-oxoethyl]pyridine-2-carboxamide

N-benzyl-N-[2-(cyclohexylamino)-1-(2-ethoxyphenyl)-2-oxoethyl]pyridine-2-carboxamide (PubChem CID 3205958) has the molecular formula C29H33N3O3 and a molecular weight of 471.60 g/mol. Its IUPAC name is N-benzyl-N-[2-(cyclohexylamino)-1-(2-ethoxyphenyl)-2-oxoethyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-[2-(cyclohexylamino)-1-(2-ethoxyphenyl)-2-oxoethyl]pyridine-2-carboxamide
PubChem CID3205958
Molecular FormulaC29H33N3O3
Molecular Weight471.60 g/mol
Exact Mass471.25
IUPAC NameN-benzyl-N-[2-(cyclohexylamino)-1-(2-ethoxyphenyl)-2-oxoethyl]pyridine-2-carboxamide
SMILESCCOc1ccccc1C(C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)c1ccccn1
InChIInChI=1S/C29H33N3O3/c1-2-35-26-19-10-9-17-24(26)27(28(33)31-23-15-7-4-8-16-23)32(21-22-13-5-3-6-14-22)29(34)25-18-11-12-20-30-25/h3,5-6,9-14,17-20,23,27H,2,4,7-8,15-16,21H2,1H3,(H,31,33)
InChIKeyDHRZHQUAZFKOOV-UHFFFAOYSA-N
XLogP5.31
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.60
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]pyridine-2-carboxamide
CID 3206147
2-[benzyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-cyclohexyl-3-phenylpropanamide
CID 133175887
N-benzyl-N-[1-(2-ethoxyphenyl)-2-(4-fluoroanilino)-2-oxoethyl]pyrazine-2-carboxamide
CID 3201992
2-[benzyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-cyclopentylpropanamide
CID 132947940
N-benzyl-N-[(1R)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]thiadiazole-4-carboxamide
CID 7434931
2-[benzyl-(2-chloroacetyl)amino]-N-cyclohexyl-2-(2-fluorophenyl)acetamide
CID 4642384
N-[2-[[2-(cyclohexylamino)-1-(2-ethoxyphenyl)-2-oxoethyl]-prop-2-enylamino]-2-oxoethyl]furan-2-carboxamide
CID 3211818
(2S)-2-[benzyl-[2-(2-methylphenoxy)acetyl]amino]-N-cyclohexylbutanamide
CID 100522106
(2S)-2-[[2-(benzotriazol-1-yl)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-cyclopentyl-2-(2-ethoxyphenyl)acetamide
CID 98102901
N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 1439658
(2S)-2-[benzyl(butanoyl)amino]-N-cyclohexylbutanamide
CID 100528481
2-[benzyl-[3-(3,4-diethoxyphenyl)propanoyl]amino]-N-cyclohexylbutanamide
CID 132618643

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-(cyclohexylamino)-1-(2-ethoxyphenyl)-2-oxoethyl]pyridine-2-carboxamide?
The IUPAC name of N-benzyl-N-[2-(cyclohexylamino)-1-(2-ethoxyphenyl)-2-oxoethyl]pyridine-2-carboxamide (CID 3205958) is N-benzyl-N-[2-(cyclohexylamino)-1-(2-ethoxyphenyl)-2-oxoethyl]pyridine-2-carboxamide.
What is the SMILES notation for N-benzyl-N-[2-(cyclohexylamino)-1-(2-ethoxyphenyl)-2-oxoethyl]pyridine-2-carboxamide?
The canonical SMILES for N-benzyl-N-[2-(cyclohexylamino)-1-(2-ethoxyphenyl)-2-oxoethyl]pyridine-2-carboxamide is CCOc1ccccc1C(C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)c1ccccn1.
What is the InChIKey of N-benzyl-N-[2-(cyclohexylamino)-1-(2-ethoxyphenyl)-2-oxoethyl]pyridine-2-carboxamide?
The InChIKey is DHRZHQUAZFKOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O3/c1-2-35-26-19-10-9-17-24(26)27(28(33)31-23-15-7-4-8-16-23)32(21-22-13-5-3-6-14-22)29(34)25-18-11-12-20-30-25/h3,5-6,9-14,17-20,23,27H,2,4,7-8,15-16,21H2,1H3,(H,31,33).
What are the key properties of N-benzyl-N-[2-(cyclohexylamino)-1-(2-ethoxyphenyl)-2-oxoethyl]pyridine-2-carboxamide?
N-benzyl-N-[2-(cyclohexylamino)-1-(2-ethoxyphenyl)-2-oxoethyl]pyridine-2-carboxamide has a molecular weight of 471.60 g/mol, XLogP of 5.31, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-(cyclohexylamino)-1-(2-ethoxyphenyl)-2-oxoethyl]pyridine-2-carboxamide is sourced from PubChem (CID 3205958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).