1-benzyl-5-N-[(1-hydroxycyclohexyl)methyl]-4-oxo-3-N-propan-2-ylpyridine-3,5-dicarboxamide

C24H31N3O4 — CID 26336289

IUPAC1-benzyl-5-N-[(1-hydroxycyclohexyl)methyl]-4-oxo-3-N-propan-2-ylpyridine-3,5-dicarboxamide
SMILESCC(C)NC(=O)c1cn(Cc2ccccc2)cc(C(=O)NCC2(O)CCCCC2)c1=O
InChIInChI=1S/C24H31N3O4/c1-17(2)26-23(30)20-15-27(13-18-9-5-3-6-10-18)14-19(21(20)28)22(29)25-16-24(31)11-7-4-8-12-24/h3,5-6,9-10,14-15,17,31H,4,7-8,11-13,16H2,1-2H3,(H,25,29)(H,26,30)
InChIKeyOMBZWXAIQPMBCM-UHFFFAOYSA-N
MW425.53 g/mol
LogP2.46
Rot. Bonds7

About 1-benzyl-5-N-[(1-hydroxycyclohexyl)methyl]-4-oxo-3-N-propan-2-ylpyridine-3,5-dicarboxamide

1-benzyl-5-N-[(1-hydroxycyclohexyl)methyl]-4-oxo-3-N-propan-2-ylpyridine-3,5-dicarboxamide (PubChem CID 26336289) has the molecular formula C24H31N3O4 and a molecular weight of 425.53 g/mol. Its IUPAC name is 1-benzyl-5-N-[(1-hydroxycyclohexyl)methyl]-4-oxo-3-N-propan-2-ylpyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name1-benzyl-5-N-[(1-hydroxycyclohexyl)methyl]-4-oxo-3-N-propan-2-ylpyridine-3,5-dicarboxamide
PubChem CID26336289
Molecular FormulaC24H31N3O4
Molecular Weight425.53 g/mol
Exact Mass425.23
IUPAC Name1-benzyl-5-N-[(1-hydroxycyclohexyl)methyl]-4-oxo-3-N-propan-2-ylpyridine-3,5-dicarboxamide
SMILESCC(C)NC(=O)c1cn(Cc2ccccc2)cc(C(=O)NCC2(O)CCCCC2)c1=O
InChIInChI=1S/C24H31N3O4/c1-17(2)26-23(30)20-15-27(13-18-9-5-3-6-10-18)14-19(21(20)28)22(29)25-16-24(31)11-7-4-8-12-24/h3,5-6,9-10,14-15,17,31H,4,7-8,11-13,16H2,1-2H3,(H,25,29)(H,26,30)
InChIKeyOMBZWXAIQPMBCM-UHFFFAOYSA-N
XLogP2.46
TPSA100.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-benzyl-5-N-[(1-hydroxycyclohexyl)methyl]-4-oxo-3-N-propan-2-ylpyridine-3,5-dicarboxamide with MolForge

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Related Compounds

1-benzyl-5-N-ethyl-4-oxo-3-N-[(1-phenylcyclohexyl)methyl]pyridine-3,5-dicarboxamide
CID 26403133
N-[(1-hydroxycyclohexyl)methyl]-2-phenylmethoxypropanamide
CID 64868042
1-benzyl-5-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-oxo-3-N-propan-2-ylpyridine-3,5-dicarboxamide
CID 42479784
2-acetyl-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 111538677
N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzamide
CID 22267456
1-benzyl-5-N-ethyl-3-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-oxopyridine-3,5-dicarboxamide
CID 26323834
2-(4-benzylpiperazin-1-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide
CID 111445977
2-hydroxy-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 65113744
1-[(1-hydroxycyclohexyl)methyl]-3-(1-phenylethyl)urea
CID 110936427
N-[(1-hydroxycyclopentyl)methyl]-3-phenylbutanamide
CID 110626464
2-[benzyl(methyl)amino]-N-[(1-hydroxycycloheptyl)methyl]acetamide
CID 111428717
3-chloro-N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzamide
CID 107097792

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-N-[(1-hydroxycyclohexyl)methyl]-4-oxo-3-N-propan-2-ylpyridine-3,5-dicarboxamide?
The IUPAC name of 1-benzyl-5-N-[(1-hydroxycyclohexyl)methyl]-4-oxo-3-N-propan-2-ylpyridine-3,5-dicarboxamide (CID 26336289) is 1-benzyl-5-N-[(1-hydroxycyclohexyl)methyl]-4-oxo-3-N-propan-2-ylpyridine-3,5-dicarboxamide.
What is the SMILES notation for 1-benzyl-5-N-[(1-hydroxycyclohexyl)methyl]-4-oxo-3-N-propan-2-ylpyridine-3,5-dicarboxamide?
The canonical SMILES for 1-benzyl-5-N-[(1-hydroxycyclohexyl)methyl]-4-oxo-3-N-propan-2-ylpyridine-3,5-dicarboxamide is CC(C)NC(=O)c1cn(Cc2ccccc2)cc(C(=O)NCC2(O)CCCCC2)c1=O.
What is the InChIKey of 1-benzyl-5-N-[(1-hydroxycyclohexyl)methyl]-4-oxo-3-N-propan-2-ylpyridine-3,5-dicarboxamide?
The InChIKey is OMBZWXAIQPMBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4/c1-17(2)26-23(30)20-15-27(13-18-9-5-3-6-10-18)14-19(21(20)28)22(29)25-16-24(31)11-7-4-8-12-24/h3,5-6,9-10,14-15,17,31H,4,7-8,11-13,16H2,1-2H3,(H,25,29)(H,26,30).
What are the key properties of 1-benzyl-5-N-[(1-hydroxycyclohexyl)methyl]-4-oxo-3-N-propan-2-ylpyridine-3,5-dicarboxamide?
1-benzyl-5-N-[(1-hydroxycyclohexyl)methyl]-4-oxo-3-N-propan-2-ylpyridine-3,5-dicarboxamide has a molecular weight of 425.53 g/mol, XLogP of 2.46, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-N-[(1-hydroxycyclohexyl)methyl]-4-oxo-3-N-propan-2-ylpyridine-3,5-dicarboxamide is sourced from PubChem (CID 26336289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).