1-cyclopentyl-3-N-(3-methylbutyl)-4-oxo-5-N-(3-pyridin-4-ylpropyl)pyridine-3,5-dicarboxamide

C25H34N4O3 — CID 26357797

IUPAC1-cyclopentyl-3-N-(3-methylbutyl)-4-oxo-5-N-(3-pyridin-4-ylpropyl)pyridine-3,5-dicarboxamide
SMILESCC(C)CCNC(=O)c1cn(C2CCCC2)cc(C(=O)NCCCc2ccncc2)c1=O
InChIInChI=1S/C25H34N4O3/c1-18(2)9-15-28-25(32)22-17-29(20-7-3-4-8-20)16-21(23(22)30)24(31)27-12-5-6-19-10-13-26-14-11-19/h10-11,13-14,16-18,20H,3-9,12,15H2,1-2H3,(H,27,31)(H,28,32)
InChIKeyIDYUITIJRORZLN-UHFFFAOYSA-N
MW438.57 g/mol
LogP3.50
Rot. Bonds10

About 1-cyclopentyl-3-N-(3-methylbutyl)-4-oxo-5-N-(3-pyridin-4-ylpropyl)pyridine-3,5-dicarboxamide

1-cyclopentyl-3-N-(3-methylbutyl)-4-oxo-5-N-(3-pyridin-4-ylpropyl)pyridine-3,5-dicarboxamide (PubChem CID 26357797) has the molecular formula C25H34N4O3 and a molecular weight of 438.57 g/mol. Its IUPAC name is 1-cyclopentyl-3-N-(3-methylbutyl)-4-oxo-5-N-(3-pyridin-4-ylpropyl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name1-cyclopentyl-3-N-(3-methylbutyl)-4-oxo-5-N-(3-pyridin-4-ylpropyl)pyridine-3,5-dicarboxamide
PubChem CID26357797
Molecular FormulaC25H34N4O3
Molecular Weight438.57 g/mol
Exact Mass438.26
IUPAC Name1-cyclopentyl-3-N-(3-methylbutyl)-4-oxo-5-N-(3-pyridin-4-ylpropyl)pyridine-3,5-dicarboxamide
SMILESCC(C)CCNC(=O)c1cn(C2CCCC2)cc(C(=O)NCCCc2ccncc2)c1=O
InChIInChI=1S/C25H34N4O3/c1-18(2)9-15-28-25(32)22-17-29(20-7-3-4-8-20)16-21(23(22)30)24(31)27-12-5-6-19-10-13-26-14-11-19/h10-11,13-14,16-18,20H,3-9,12,15H2,1-2H3,(H,27,31)(H,28,32)
InChIKeyIDYUITIJRORZLN-UHFFFAOYSA-N
XLogP3.50
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.57
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-cyclopentyl-3-N-methyl-5-N-(3-methylbutyl)-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide
CID 26282384
1-cyclohexyl-5-N-(3-methoxypropyl)-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide
CID 42483113
1-cyclohexyl-3-N-[2-(4-fluorophenyl)ethyl]-5-N-methyl-4-oxopyridine-3,5-dicarboxamide
CID 42212323
3-N-[(2S)-butan-2-yl]-1-cyclopentyl-5-N-(3-methylsulfanylpropyl)-4-oxopyridine-3,5-dicarboxamide
CID 42499673
1-cyclopentyl-5-N-[(4-methoxyphenyl)methyl]-3-N-methyl-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide
CID 42366923
3-N-cycloheptyl-1-cyclopropyl-5-N-[2-(4-methoxyphenyl)ethyl]-4-oxopyridine-3,5-dicarboxamide
CID 42540450
1-cyclopentyl-5-N-[2-(1H-indol-3-yl)ethyl]-3-N-methyl-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide
CID 26339286
3-N-cyclooctyl-4-oxo-1-[[(2S)-oxolan-2-yl]methyl]-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 42467943
N-butyl-1-cyclohexyl-5-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]-4-oxopyridine-3-carboxamide
CID 26317253
3-N-butyl-1-cyclopentyl-3-N-methyl-5-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide
CID 26356747
1-cyclopentyl-5-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-3-N-methyl-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide
CID 42471912
1-cyclopentyl-3-N-methyl-3-N-(2-methylpropyl)-4-oxo-5-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-3,5-dicarboxamide
CID 25290661

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-N-(3-methylbutyl)-4-oxo-5-N-(3-pyridin-4-ylpropyl)pyridine-3,5-dicarboxamide?
The IUPAC name of 1-cyclopentyl-3-N-(3-methylbutyl)-4-oxo-5-N-(3-pyridin-4-ylpropyl)pyridine-3,5-dicarboxamide (CID 26357797) is 1-cyclopentyl-3-N-(3-methylbutyl)-4-oxo-5-N-(3-pyridin-4-ylpropyl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 1-cyclopentyl-3-N-(3-methylbutyl)-4-oxo-5-N-(3-pyridin-4-ylpropyl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 1-cyclopentyl-3-N-(3-methylbutyl)-4-oxo-5-N-(3-pyridin-4-ylpropyl)pyridine-3,5-dicarboxamide is CC(C)CCNC(=O)c1cn(C2CCCC2)cc(C(=O)NCCCc2ccncc2)c1=O.
What is the InChIKey of 1-cyclopentyl-3-N-(3-methylbutyl)-4-oxo-5-N-(3-pyridin-4-ylpropyl)pyridine-3,5-dicarboxamide?
The InChIKey is IDYUITIJRORZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O3/c1-18(2)9-15-28-25(32)22-17-29(20-7-3-4-8-20)16-21(23(22)30)24(31)27-12-5-6-19-10-13-26-14-11-19/h10-11,13-14,16-18,20H,3-9,12,15H2,1-2H3,(H,27,31)(H,28,32).
What are the key properties of 1-cyclopentyl-3-N-(3-methylbutyl)-4-oxo-5-N-(3-pyridin-4-ylpropyl)pyridine-3,5-dicarboxamide?
1-cyclopentyl-3-N-(3-methylbutyl)-4-oxo-5-N-(3-pyridin-4-ylpropyl)pyridine-3,5-dicarboxamide has a molecular weight of 438.57 g/mol, XLogP of 3.50, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-N-(3-methylbutyl)-4-oxo-5-N-(3-pyridin-4-ylpropyl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 26357797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).