2,4-dimethyl-N-(4-methylcyclohexyl)-6-oxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide

C20H31N3O3 — CID 75534030

IUPAC2,4-dimethyl-N-(4-methylcyclohexyl)-6-oxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide
SMILESCc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)NC1CCC(C)CC1
InChIInChI=1S/C20H31N3O3/c1-12(2)21-17(24)11-23-15(5)19(14(4)10-18(23)25)20(26)22-16-8-6-13(3)7-9-16/h10,12-13,16H,6-9,11H2,1-5H3,(H,21,24)(H,22,26)
InChIKeyAFCOTEBKSZWQAA-UHFFFAOYSA-N
MW361.49 g/mol
LogP2.30
Rot. Bonds5

About 2,4-dimethyl-N-(4-methylcyclohexyl)-6-oxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide

2,4-dimethyl-N-(4-methylcyclohexyl)-6-oxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide (PubChem CID 75534030) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is 2,4-dimethyl-N-(4-methylcyclohexyl)-6-oxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-(4-methylcyclohexyl)-6-oxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide
PubChem CID75534030
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC Name2,4-dimethyl-N-(4-methylcyclohexyl)-6-oxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide
SMILESCc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)NC1CCC(C)CC1
InChIInChI=1S/C20H31N3O3/c1-12(2)21-17(24)11-23-15(5)19(14(4)10-18(23)25)20(26)22-16-8-6-13(3)7-9-16/h10,12-13,16H,6-9,11H2,1-5H3,(H,21,24)(H,22,26)
InChIKeyAFCOTEBKSZWQAA-UHFFFAOYSA-N
XLogP2.30
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(4-methylcyclohexyl)-6-oxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide?
The IUPAC name of 2,4-dimethyl-N-(4-methylcyclohexyl)-6-oxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide (CID 75534030) is 2,4-dimethyl-N-(4-methylcyclohexyl)-6-oxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-(4-methylcyclohexyl)-6-oxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-(4-methylcyclohexyl)-6-oxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide is Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)NC1CCC(C)CC1.
What is the InChIKey of 2,4-dimethyl-N-(4-methylcyclohexyl)-6-oxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide?
The InChIKey is AFCOTEBKSZWQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-12(2)21-17(24)11-23-15(5)19(14(4)10-18(23)25)20(26)22-16-8-6-13(3)7-9-16/h10,12-13,16H,6-9,11H2,1-5H3,(H,21,24)(H,22,26).
What are the key properties of 2,4-dimethyl-N-(4-methylcyclohexyl)-6-oxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide?
2,4-dimethyl-N-(4-methylcyclohexyl)-6-oxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide has a molecular weight of 361.49 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-(4-methylcyclohexyl)-6-oxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 75534030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).