1-(cyclohexylmethyl)-N-cyclopropyl-5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-4-oxopyridine-3-carboxamide

C28H35FN4O3 — CID 26319537

IUPAC1-(cyclohexylmethyl)-N-cyclopropyl-5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-4-oxopyridine-3-carboxamide
SMILESO=C(NC1CC1)c1cn(CC2CCCCC2)cc(C(=O)N2CCN(Cc3cccc(F)c3)CC2)c1=O
InChIInChI=1S/C28H35FN4O3/c29-22-8-4-7-21(15-22)17-31-11-13-33(14-12-31)28(36)25-19-32(16-20-5-2-1-3-6-20)18-24(26(25)34)27(35)30-23-9-10-23/h4,7-8,15,18-20,23H,1-3,5-6,9-14,16-17H2,(H,30,35)
InChIKeyHXXSQCIHQBLYLZ-UHFFFAOYSA-N
MW494.61 g/mol
LogP3.42
Rot. Bonds7

About 1-(cyclohexylmethyl)-N-cyclopropyl-5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-4-oxopyridine-3-carboxamide

1-(cyclohexylmethyl)-N-cyclopropyl-5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-4-oxopyridine-3-carboxamide (PubChem CID 26319537) has the molecular formula C28H35FN4O3 and a molecular weight of 494.61 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-N-cyclopropyl-5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-4-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-N-cyclopropyl-5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-4-oxopyridine-3-carboxamide
PubChem CID26319537
Molecular FormulaC28H35FN4O3
Molecular Weight494.61 g/mol
Exact Mass494.27
IUPAC Name1-(cyclohexylmethyl)-N-cyclopropyl-5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-4-oxopyridine-3-carboxamide
SMILESO=C(NC1CC1)c1cn(CC2CCCCC2)cc(C(=O)N2CCN(Cc3cccc(F)c3)CC2)c1=O
InChIInChI=1S/C28H35FN4O3/c29-22-8-4-7-21(15-22)17-31-11-13-33(14-12-31)28(36)25-19-32(16-20-5-2-1-3-6-20)18-24(26(25)34)27(35)30-23-9-10-23/h4,7-8,15,18-20,23H,1-3,5-6,9-14,16-17H2,(H,30,35)
InChIKeyHXXSQCIHQBLYLZ-UHFFFAOYSA-N
XLogP3.42
TPSA74.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.61
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(cyclohexylmethyl)-N-cyclopropyl-5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-4-oxopyridine-3-carboxamide with MolForge

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Related Compounds

1-cyclohexyl-5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-N-methyl-4-oxopyridine-3-carboxamide
CID 26356143
5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-N-[1-(furan-2-yl)ethyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide
CID 45250873
[4-(cyclohexylmethyl)piperazin-1-yl]-(3-fluorophenyl)methanone
CID 47025111
N-[2-(3-fluorophenyl)ethyl]-4-oxo-1-(oxolan-2-ylmethyl)-5-(4-propan-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 45225393
N-cyclohexyl-1-[(3-fluorophenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 53051245
5-(azocane-1-carbonyl)-N-cyclooctyl-4-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 45182329
cyclopropyl-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 17250044
(2,3-dichlorophenyl)-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 19291232
(3R)-N-cyclopropyl-1-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]piperidine-3-carboxamide
CID 29085751
1-cyclopentyl-5-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-4-oxo-N-prop-2-enylpyridine-3-carboxamide
CID 26334451
N-cycloheptyl-4-oxo-5-(4-phenylpiperazine-1-carbonyl)-1-propan-2-ylpyridine-3-carboxamide
CID 42166830
5-(azepane-1-carbonyl)-N-cyclooctyl-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 26278147

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-N-cyclopropyl-5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-4-oxopyridine-3-carboxamide?
The IUPAC name of 1-(cyclohexylmethyl)-N-cyclopropyl-5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-4-oxopyridine-3-carboxamide (CID 26319537) is 1-(cyclohexylmethyl)-N-cyclopropyl-5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-4-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-(cyclohexylmethyl)-N-cyclopropyl-5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-4-oxopyridine-3-carboxamide?
The canonical SMILES for 1-(cyclohexylmethyl)-N-cyclopropyl-5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-4-oxopyridine-3-carboxamide is O=C(NC1CC1)c1cn(CC2CCCCC2)cc(C(=O)N2CCN(Cc3cccc(F)c3)CC2)c1=O.
What is the InChIKey of 1-(cyclohexylmethyl)-N-cyclopropyl-5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-4-oxopyridine-3-carboxamide?
The InChIKey is HXXSQCIHQBLYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35FN4O3/c29-22-8-4-7-21(15-22)17-31-11-13-33(14-12-31)28(36)25-19-32(16-20-5-2-1-3-6-20)18-24(26(25)34)27(35)30-23-9-10-23/h4,7-8,15,18-20,23H,1-3,5-6,9-14,16-17H2,(H,30,35).
What are the key properties of 1-(cyclohexylmethyl)-N-cyclopropyl-5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-4-oxopyridine-3-carboxamide?
1-(cyclohexylmethyl)-N-cyclopropyl-5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-4-oxopyridine-3-carboxamide has a molecular weight of 494.61 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-N-cyclopropyl-5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-4-oxopyridine-3-carboxamide is sourced from PubChem (CID 26319537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).