N-tert-butyl-1-cyclohexyl-5-(4-cyclopentylpiperazine-1-carbonyl)-4-oxopyridine-3-carboxamide

C26H40N4O3 — CID 26345811

IUPACN-tert-butyl-1-cyclohexyl-5-(4-cyclopentylpiperazine-1-carbonyl)-4-oxopyridine-3-carboxamide
SMILESCC(C)(C)NC(=O)c1cn(C2CCCCC2)cc(C(=O)N2CCN(C3CCCC3)CC2)c1=O
InChIInChI=1S/C26H40N4O3/c1-26(2,3)27-24(32)21-17-30(20-9-5-4-6-10-20)18-22(23(21)31)25(33)29-15-13-28(14-16-29)19-11-7-8-12-19/h17-20H,4-16H2,1-3H3,(H,27,32)
InChIKeyYEXHODMMVRHCKN-UHFFFAOYSA-N
MW456.63 g/mol
LogP3.58
Rot. Bonds4

About N-tert-butyl-1-cyclohexyl-5-(4-cyclopentylpiperazine-1-carbonyl)-4-oxopyridine-3-carboxamide

N-tert-butyl-1-cyclohexyl-5-(4-cyclopentylpiperazine-1-carbonyl)-4-oxopyridine-3-carboxamide (PubChem CID 26345811) has the molecular formula C26H40N4O3 and a molecular weight of 456.63 g/mol. Its IUPAC name is N-tert-butyl-1-cyclohexyl-5-(4-cyclopentylpiperazine-1-carbonyl)-4-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-1-cyclohexyl-5-(4-cyclopentylpiperazine-1-carbonyl)-4-oxopyridine-3-carboxamide
PubChem CID26345811
Molecular FormulaC26H40N4O3
Molecular Weight456.63 g/mol
Exact Mass456.31
IUPAC NameN-tert-butyl-1-cyclohexyl-5-(4-cyclopentylpiperazine-1-carbonyl)-4-oxopyridine-3-carboxamide
SMILESCC(C)(C)NC(=O)c1cn(C2CCCCC2)cc(C(=O)N2CCN(C3CCCC3)CC2)c1=O
InChIInChI=1S/C26H40N4O3/c1-26(2,3)27-24(32)21-17-30(20-9-5-4-6-10-20)18-22(23(21)31)25(33)29-15-13-28(14-16-29)19-11-7-8-12-19/h17-20H,4-16H2,1-3H3,(H,27,32)
InChIKeyYEXHODMMVRHCKN-UHFFFAOYSA-N
XLogP3.58
TPSA74.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.63
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclohexyl-N-cyclopentyl-4-oxo-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide
CID 26339108
N-cyclohexyl-1-cyclopentyl-4-oxo-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 42499907
methyl (2S,3S)-2-[[1-cyclopentyl-4-oxo-5-(piperidine-1-carbonyl)pyridine-3-carbonyl]amino]-3-methylpentanoate
CID 28785994
N-[(5-chlorothiophen-2-yl)methyl]-1-cyclopentyl-4-oxo-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 42163607
5-N-tert-butyl-1-cyclohexyl-3-N-[(3-methoxyphenyl)methyl]-3-N-methyl-4-oxopyridine-3,5-dicarboxamide
CID 42192459
3-N-tert-butyl-1-cyclohexyl-4-oxo-5-N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]pyridine-3,5-dicarboxamide
CID 42461960
1-cyclohexyl-5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-N-methyl-4-oxopyridine-3-carboxamide
CID 26356143
N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1-cyclohexyl-4-oxo-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide
CID 26348462
1-cyclohexyl-3-(4-phenylpiperidine-1-carbonyl)-5-(pyrrolidine-1-carbonyl)pyridin-4-one
CID 42458784
1-cyclohexyl-N-cyclopropyl-5-(2-methylpiperidine-1-carbonyl)-4-oxopyridine-3-carboxamide
CID 45240202
1-cyclopentyl-N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]-4-oxo-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 42471917
N-butyl-1-cyclohexyl-5-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]-4-oxopyridine-3-carboxamide
CID 26317253

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-cyclohexyl-5-(4-cyclopentylpiperazine-1-carbonyl)-4-oxopyridine-3-carboxamide?
The IUPAC name of N-tert-butyl-1-cyclohexyl-5-(4-cyclopentylpiperazine-1-carbonyl)-4-oxopyridine-3-carboxamide (CID 26345811) is N-tert-butyl-1-cyclohexyl-5-(4-cyclopentylpiperazine-1-carbonyl)-4-oxopyridine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-1-cyclohexyl-5-(4-cyclopentylpiperazine-1-carbonyl)-4-oxopyridine-3-carboxamide?
The canonical SMILES for N-tert-butyl-1-cyclohexyl-5-(4-cyclopentylpiperazine-1-carbonyl)-4-oxopyridine-3-carboxamide is CC(C)(C)NC(=O)c1cn(C2CCCCC2)cc(C(=O)N2CCN(C3CCCC3)CC2)c1=O.
What is the InChIKey of N-tert-butyl-1-cyclohexyl-5-(4-cyclopentylpiperazine-1-carbonyl)-4-oxopyridine-3-carboxamide?
The InChIKey is YEXHODMMVRHCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N4O3/c1-26(2,3)27-24(32)21-17-30(20-9-5-4-6-10-20)18-22(23(21)31)25(33)29-15-13-28(14-16-29)19-11-7-8-12-19/h17-20H,4-16H2,1-3H3,(H,27,32).
What are the key properties of N-tert-butyl-1-cyclohexyl-5-(4-cyclopentylpiperazine-1-carbonyl)-4-oxopyridine-3-carboxamide?
N-tert-butyl-1-cyclohexyl-5-(4-cyclopentylpiperazine-1-carbonyl)-4-oxopyridine-3-carboxamide has a molecular weight of 456.63 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-cyclohexyl-5-(4-cyclopentylpiperazine-1-carbonyl)-4-oxopyridine-3-carboxamide is sourced from PubChem (CID 26345811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).