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

C24H36N4O3 — CID 26317190

IUPAC1-(cyclohexylmethyl)-N-cyclopropyl-4-oxo-5-(4-propan-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide
SMILESCC(C)N1CCN(C(=O)c2cn(CC3CCCCC3)cc(C(=O)NC3CC3)c2=O)CC1
InChIInChI=1S/C24H36N4O3/c1-17(2)27-10-12-28(13-11-27)24(31)21-16-26(14-18-6-4-3-5-7-18)15-20(22(21)29)23(30)25-19-8-9-19/h15-19H,3-14H2,1-2H3,(H,25,30)
InChIKeyZAXFKXSSEFHQRF-UHFFFAOYSA-N
MW428.58 g/mol
LogP2.49
Rot. Bonds6

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

1-(cyclohexylmethyl)-N-cyclopropyl-4-oxo-5-(4-propan-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide (PubChem CID 26317190) has the molecular formula C24H36N4O3 and a molecular weight of 428.58 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-N-cyclopropyl-4-oxo-5-(4-propan-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-N-cyclopropyl-4-oxo-5-(4-propan-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide
PubChem CID26317190
Molecular FormulaC24H36N4O3
Molecular Weight428.58 g/mol
Exact Mass428.28
IUPAC Name1-(cyclohexylmethyl)-N-cyclopropyl-4-oxo-5-(4-propan-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide
SMILESCC(C)N1CCN(C(=O)c2cn(CC3CCCCC3)cc(C(=O)NC3CC3)c2=O)CC1
InChIInChI=1S/C24H36N4O3/c1-17(2)27-10-12-28(13-11-27)24(31)21-16-26(14-18-6-4-3-5-7-18)15-20(22(21)29)23(30)25-19-8-9-19/h15-19H,3-14H2,1-2H3,(H,25,30)
InChIKeyZAXFKXSSEFHQRF-UHFFFAOYSA-N
XLogP2.49
TPSA74.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.58
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-N-cyclopropyl-4-oxo-5-(4-propan-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide?
The IUPAC name of 1-(cyclohexylmethyl)-N-cyclopropyl-4-oxo-5-(4-propan-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide (CID 26317190) is 1-(cyclohexylmethyl)-N-cyclopropyl-4-oxo-5-(4-propan-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide.
What is the SMILES notation for 1-(cyclohexylmethyl)-N-cyclopropyl-4-oxo-5-(4-propan-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide?
The canonical SMILES for 1-(cyclohexylmethyl)-N-cyclopropyl-4-oxo-5-(4-propan-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide is CC(C)N1CCN(C(=O)c2cn(CC3CCCCC3)cc(C(=O)NC3CC3)c2=O)CC1.
What is the InChIKey of 1-(cyclohexylmethyl)-N-cyclopropyl-4-oxo-5-(4-propan-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide?
The InChIKey is ZAXFKXSSEFHQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O3/c1-17(2)27-10-12-28(13-11-27)24(31)21-16-26(14-18-6-4-3-5-7-18)15-20(22(21)29)23(30)25-19-8-9-19/h15-19H,3-14H2,1-2H3,(H,25,30).
What are the key properties of 1-(cyclohexylmethyl)-N-cyclopropyl-4-oxo-5-(4-propan-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide?
1-(cyclohexylmethyl)-N-cyclopropyl-4-oxo-5-(4-propan-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide has a molecular weight of 428.58 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-N-cyclopropyl-4-oxo-5-(4-propan-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide is sourced from PubChem (CID 26317190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).