N-[2-(cyclohexylamino)-2-oxo-1-pyridin-2-ylethyl]-N-(2-phenylpropan-2-yl)benzamide

C29H33N3O2 — CID 166334145

IUPACN-[2-(cyclohexylamino)-2-oxo-1-pyridin-2-ylethyl]-N-(2-phenylpropan-2-yl)benzamide
SMILESCC(C)(c1ccccc1)N(C(=O)c1ccccc1)C(C(=O)NC1CCCCC1)c1ccccn1
InChIInChI=1S/C29H33N3O2/c1-29(2,23-16-8-4-9-17-23)32(28(34)22-14-6-3-7-15-22)26(25-20-12-13-21-30-25)27(33)31-24-18-10-5-11-19-24/h3-4,6-9,12-17,20-21,24,26H,5,10-11,18-19H2,1-2H3,(H,31,33)
InChIKeyQJZQAZSDBMTQGE-UHFFFAOYSA-N
MW455.60 g/mol
LogP5.65
Rot. Bonds7

About N-[2-(cyclohexylamino)-2-oxo-1-pyridin-2-ylethyl]-N-(2-phenylpropan-2-yl)benzamide

N-[2-(cyclohexylamino)-2-oxo-1-pyridin-2-ylethyl]-N-(2-phenylpropan-2-yl)benzamide (PubChem CID 166334145) has the molecular formula C29H33N3O2 and a molecular weight of 455.60 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-2-oxo-1-pyridin-2-ylethyl]-N-(2-phenylpropan-2-yl)benzamide.

Molecular Properties

Compound NameN-[2-(cyclohexylamino)-2-oxo-1-pyridin-2-ylethyl]-N-(2-phenylpropan-2-yl)benzamide
PubChem CID166334145
Molecular FormulaC29H33N3O2
Molecular Weight455.60 g/mol
Exact Mass455.26
IUPAC NameN-[2-(cyclohexylamino)-2-oxo-1-pyridin-2-ylethyl]-N-(2-phenylpropan-2-yl)benzamide
SMILESCC(C)(c1ccccc1)N(C(=O)c1ccccc1)C(C(=O)NC1CCCCC1)c1ccccn1
InChIInChI=1S/C29H33N3O2/c1-29(2,23-16-8-4-9-17-23)32(28(34)22-14-6-3-7-15-22)26(25-20-12-13-21-30-25)27(33)31-24-18-10-5-11-19-24/h3-4,6-9,12-17,20-21,24,26H,5,10-11,18-19H2,1-2H3,(H,31,33)
InChIKeyQJZQAZSDBMTQGE-UHFFFAOYSA-N
XLogP5.65
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.60
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-tert-butylphenyl)-N-[2-(cyclohexylamino)-2-oxo-1-pyrazin-2-ylethyl]benzamide
CID 166332793
N-cyclohexyl-2-pyridin-2-ylbutanamide
CID 21278990
N-cyclohexyl-N-[2-(2,2-difluoroethylamino)-2-oxo-1-pyridin-2-ylethyl]benzamide
CID 166342313
N-benzyl-N-[2-(cyclohexylamino)-2-oxo-1-pyrazin-2-ylethyl]benzamide
CID 166332781
N-[(1R)-2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenylpyridine-2-carboxamide
CID 1439570
1-cyclohexyl-3-(dipyridin-2-ylmethyl)urea
CID 11225540
[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 2-methyl-2-phenylpropanoate
CID 8954502
N-[(2R)-1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl]-N-propylbenzamide
CID 92982082
N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 1439658
N-[(2S)-1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-phenylpyridine-2-carboxamide
CID 7287866
N-[2-(cyclopentylamino)-2-oxo-1-pyridin-2-ylethyl]-N-(3,5-dimethylphenyl)thiadiazole-4-carboxamide
CID 3221927
N-[2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-phenylpyridine-2-carboxamide
CID 3206049

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylamino)-2-oxo-1-pyridin-2-ylethyl]-N-(2-phenylpropan-2-yl)benzamide?
The IUPAC name of N-[2-(cyclohexylamino)-2-oxo-1-pyridin-2-ylethyl]-N-(2-phenylpropan-2-yl)benzamide (CID 166334145) is N-[2-(cyclohexylamino)-2-oxo-1-pyridin-2-ylethyl]-N-(2-phenylpropan-2-yl)benzamide.
What is the SMILES notation for N-[2-(cyclohexylamino)-2-oxo-1-pyridin-2-ylethyl]-N-(2-phenylpropan-2-yl)benzamide?
The canonical SMILES for N-[2-(cyclohexylamino)-2-oxo-1-pyridin-2-ylethyl]-N-(2-phenylpropan-2-yl)benzamide is CC(C)(c1ccccc1)N(C(=O)c1ccccc1)C(C(=O)NC1CCCCC1)c1ccccn1.
What is the InChIKey of N-[2-(cyclohexylamino)-2-oxo-1-pyridin-2-ylethyl]-N-(2-phenylpropan-2-yl)benzamide?
The InChIKey is QJZQAZSDBMTQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O2/c1-29(2,23-16-8-4-9-17-23)32(28(34)22-14-6-3-7-15-22)26(25-20-12-13-21-30-25)27(33)31-24-18-10-5-11-19-24/h3-4,6-9,12-17,20-21,24,26H,5,10-11,18-19H2,1-2H3,(H,31,33).
What are the key properties of N-[2-(cyclohexylamino)-2-oxo-1-pyridin-2-ylethyl]-N-(2-phenylpropan-2-yl)benzamide?
N-[2-(cyclohexylamino)-2-oxo-1-pyridin-2-ylethyl]-N-(2-phenylpropan-2-yl)benzamide has a molecular weight of 455.60 g/mol, XLogP of 5.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylamino)-2-oxo-1-pyridin-2-ylethyl]-N-(2-phenylpropan-2-yl)benzamide is sourced from PubChem (CID 166334145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).