1-butyl-5-ethyl-N-(2-formylcyclohexyl)-2-oxo-6-propylpyridine-3-carboxamide

C22H34N2O3 — CID 87851268

IUPAC1-butyl-5-ethyl-N-(2-formylcyclohexyl)-2-oxo-6-propylpyridine-3-carboxamide
SMILESCCCCn1c(CCC)c(CC)cc(C(=O)NC2CCCCC2C=O)c1=O
InChIInChI=1S/C22H34N2O3/c1-4-7-13-24-20(10-5-2)16(6-3)14-18(22(24)27)21(26)23-19-12-9-8-11-17(19)15-25/h14-15,17,19H,4-13H2,1-3H3,(H,23,26)
InChIKeyOMEHDUJTUOMNCO-UHFFFAOYSA-N
MW374.53 g/mol
LogP3.65
Rot. Bonds9

About 1-butyl-5-ethyl-N-(2-formylcyclohexyl)-2-oxo-6-propylpyridine-3-carboxamide

1-butyl-5-ethyl-N-(2-formylcyclohexyl)-2-oxo-6-propylpyridine-3-carboxamide (PubChem CID 87851268) has the molecular formula C22H34N2O3 and a molecular weight of 374.53 g/mol. Its IUPAC name is 1-butyl-5-ethyl-N-(2-formylcyclohexyl)-2-oxo-6-propylpyridine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-5-ethyl-N-(2-formylcyclohexyl)-2-oxo-6-propylpyridine-3-carboxamide
PubChem CID87851268
Molecular FormulaC22H34N2O3
Molecular Weight374.53 g/mol
Exact Mass374.26
IUPAC Name1-butyl-5-ethyl-N-(2-formylcyclohexyl)-2-oxo-6-propylpyridine-3-carboxamide
SMILESCCCCn1c(CCC)c(CC)cc(C(=O)NC2CCCCC2C=O)c1=O
InChIInChI=1S/C22H34N2O3/c1-4-7-13-24-20(10-5-2)16(6-3)14-18(22(24)27)21(26)23-19-12-9-8-11-17(19)15-25/h14-15,17,19H,4-13H2,1-3H3,(H,23,26)
InChIKeyOMEHDUJTUOMNCO-UHFFFAOYSA-N
XLogP3.65
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-5-ethyl-N-(2-formylcyclohexyl)-2-oxo-6-propylpyridine-3-carboxamide?
The IUPAC name of 1-butyl-5-ethyl-N-(2-formylcyclohexyl)-2-oxo-6-propylpyridine-3-carboxamide (CID 87851268) is 1-butyl-5-ethyl-N-(2-formylcyclohexyl)-2-oxo-6-propylpyridine-3-carboxamide.
What is the SMILES notation for 1-butyl-5-ethyl-N-(2-formylcyclohexyl)-2-oxo-6-propylpyridine-3-carboxamide?
The canonical SMILES for 1-butyl-5-ethyl-N-(2-formylcyclohexyl)-2-oxo-6-propylpyridine-3-carboxamide is CCCCn1c(CCC)c(CC)cc(C(=O)NC2CCCCC2C=O)c1=O.
What is the InChIKey of 1-butyl-5-ethyl-N-(2-formylcyclohexyl)-2-oxo-6-propylpyridine-3-carboxamide?
The InChIKey is OMEHDUJTUOMNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O3/c1-4-7-13-24-20(10-5-2)16(6-3)14-18(22(24)27)21(26)23-19-12-9-8-11-17(19)15-25/h14-15,17,19H,4-13H2,1-3H3,(H,23,26).
What are the key properties of 1-butyl-5-ethyl-N-(2-formylcyclohexyl)-2-oxo-6-propylpyridine-3-carboxamide?
1-butyl-5-ethyl-N-(2-formylcyclohexyl)-2-oxo-6-propylpyridine-3-carboxamide has a molecular weight of 374.53 g/mol, XLogP of 3.65, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5-ethyl-N-(2-formylcyclohexyl)-2-oxo-6-propylpyridine-3-carboxamide is sourced from PubChem (CID 87851268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).