1-(cyclohexylmethyl)-4-oxo-N-phenyl-2,6-dipropylpyridine-3-carboxamide

C25H34N2O2 — CID 14151559

IUPAC1-(cyclohexylmethyl)-4-oxo-N-phenyl-2,6-dipropylpyridine-3-carboxamide
SMILESCCCc1cc(=O)c(C(=O)Nc2ccccc2)c(CCC)n1CC1CCCCC1
InChIInChI=1S/C25H34N2O2/c1-3-11-21-17-23(28)24(25(29)26-20-15-9-6-10-16-20)22(12-4-2)27(21)18-19-13-7-5-8-14-19/h6,9-10,15-17,19H,3-5,7-8,11-14,18H2,1-2H3,(H,26,29)
InChIKeyPYQPTPZBRQQLJR-UHFFFAOYSA-N
MW394.56 g/mol
LogP5.59
Rot. Bonds8

About 1-(cyclohexylmethyl)-4-oxo-N-phenyl-2,6-dipropylpyridine-3-carboxamide

1-(cyclohexylmethyl)-4-oxo-N-phenyl-2,6-dipropylpyridine-3-carboxamide (PubChem CID 14151559) has the molecular formula C25H34N2O2 and a molecular weight of 394.56 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-4-oxo-N-phenyl-2,6-dipropylpyridine-3-carboxamide.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-4-oxo-N-phenyl-2,6-dipropylpyridine-3-carboxamide
PubChem CID14151559
Molecular FormulaC25H34N2O2
Molecular Weight394.56 g/mol
Exact Mass394.26
IUPAC Name1-(cyclohexylmethyl)-4-oxo-N-phenyl-2,6-dipropylpyridine-3-carboxamide
SMILESCCCc1cc(=O)c(C(=O)Nc2ccccc2)c(CCC)n1CC1CCCCC1
InChIInChI=1S/C25H34N2O2/c1-3-11-21-17-23(28)24(25(29)26-20-15-9-6-10-16-20)22(12-4-2)27(21)18-19-13-7-5-8-14-19/h6,9-10,15-17,19H,3-5,7-8,11-14,18H2,1-2H3,(H,26,29)
InChIKeyPYQPTPZBRQQLJR-UHFFFAOYSA-N
XLogP5.59
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.56
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-4-oxo-N-phenyl-2,6-dipropylpyridine-3-carboxamide?
The IUPAC name of 1-(cyclohexylmethyl)-4-oxo-N-phenyl-2,6-dipropylpyridine-3-carboxamide (CID 14151559) is 1-(cyclohexylmethyl)-4-oxo-N-phenyl-2,6-dipropylpyridine-3-carboxamide.
What is the SMILES notation for 1-(cyclohexylmethyl)-4-oxo-N-phenyl-2,6-dipropylpyridine-3-carboxamide?
The canonical SMILES for 1-(cyclohexylmethyl)-4-oxo-N-phenyl-2,6-dipropylpyridine-3-carboxamide is CCCc1cc(=O)c(C(=O)Nc2ccccc2)c(CCC)n1CC1CCCCC1.
What is the InChIKey of 1-(cyclohexylmethyl)-4-oxo-N-phenyl-2,6-dipropylpyridine-3-carboxamide?
The InChIKey is PYQPTPZBRQQLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O2/c1-3-11-21-17-23(28)24(25(29)26-20-15-9-6-10-16-20)22(12-4-2)27(21)18-19-13-7-5-8-14-19/h6,9-10,15-17,19H,3-5,7-8,11-14,18H2,1-2H3,(H,26,29).
What are the key properties of 1-(cyclohexylmethyl)-4-oxo-N-phenyl-2,6-dipropylpyridine-3-carboxamide?
1-(cyclohexylmethyl)-4-oxo-N-phenyl-2,6-dipropylpyridine-3-carboxamide has a molecular weight of 394.56 g/mol, XLogP of 5.59, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-4-oxo-N-phenyl-2,6-dipropylpyridine-3-carboxamide is sourced from PubChem (CID 14151559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).