1-(cyclohexylmethyl)-4-oxo-N-propan-2-yl-5-(4-propan-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide

C24H38N4O3 — CID 42471815

IUPAC1-(cyclohexylmethyl)-4-oxo-N-propan-2-yl-5-(4-propan-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide
SMILESCC(C)NC(=O)c1cn(CC2CCCCC2)cc(C(=O)N2CCN(C(C)C)CC2)c1=O
InChIInChI=1S/C24H38N4O3/c1-17(2)25-23(30)20-15-26(14-19-8-6-5-7-9-19)16-21(22(20)29)24(31)28-12-10-27(11-13-28)18(3)4/h15-19H,5-14H2,1-4H3,(H,25,30)
InChIKeyLKMJECRGQRVINT-UHFFFAOYSA-N
MW430.59 g/mol
LogP2.73
Rot. Bonds6

About 1-(cyclohexylmethyl)-4-oxo-N-propan-2-yl-5-(4-propan-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide

1-(cyclohexylmethyl)-4-oxo-N-propan-2-yl-5-(4-propan-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide (PubChem CID 42471815) has the molecular formula C24H38N4O3 and a molecular weight of 430.59 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-4-oxo-N-propan-2-yl-5-(4-propan-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-4-oxo-N-propan-2-yl-5-(4-propan-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide
PubChem CID42471815
Molecular FormulaC24H38N4O3
Molecular Weight430.59 g/mol
Exact Mass430.29
IUPAC Name1-(cyclohexylmethyl)-4-oxo-N-propan-2-yl-5-(4-propan-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide
SMILESCC(C)NC(=O)c1cn(CC2CCCCC2)cc(C(=O)N2CCN(C(C)C)CC2)c1=O
InChIInChI=1S/C24H38N4O3/c1-17(2)25-23(30)20-15-26(14-19-8-6-5-7-9-19)16-21(22(20)29)24(31)28-12-10-27(11-13-28)18(3)4/h15-19H,5-14H2,1-4H3,(H,25,30)
InChIKeyLKMJECRGQRVINT-UHFFFAOYSA-N
XLogP2.73
TPSA74.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.59
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-4-oxo-N-propan-2-yl-5-(4-propan-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide?
The IUPAC name of 1-(cyclohexylmethyl)-4-oxo-N-propan-2-yl-5-(4-propan-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide (CID 42471815) is 1-(cyclohexylmethyl)-4-oxo-N-propan-2-yl-5-(4-propan-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide.
What is the SMILES notation for 1-(cyclohexylmethyl)-4-oxo-N-propan-2-yl-5-(4-propan-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide?
The canonical SMILES for 1-(cyclohexylmethyl)-4-oxo-N-propan-2-yl-5-(4-propan-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide is CC(C)NC(=O)c1cn(CC2CCCCC2)cc(C(=O)N2CCN(C(C)C)CC2)c1=O.
What is the InChIKey of 1-(cyclohexylmethyl)-4-oxo-N-propan-2-yl-5-(4-propan-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide?
The InChIKey is LKMJECRGQRVINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N4O3/c1-17(2)25-23(30)20-15-26(14-19-8-6-5-7-9-19)16-21(22(20)29)24(31)28-12-10-27(11-13-28)18(3)4/h15-19H,5-14H2,1-4H3,(H,25,30).
What are the key properties of 1-(cyclohexylmethyl)-4-oxo-N-propan-2-yl-5-(4-propan-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide?
1-(cyclohexylmethyl)-4-oxo-N-propan-2-yl-5-(4-propan-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide has a molecular weight of 430.59 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-4-oxo-N-propan-2-yl-5-(4-propan-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide is sourced from PubChem (CID 42471815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).