2-cyclohexyl-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]pyrrolidine-1-carboxamide

C23H29N3O2 — CID 71889554

IUPAC2-cyclohexyl-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(Cn2ccccc2=O)cc1)N1CCCC1C1CCCCC1
InChIInChI=1S/C23H29N3O2/c27-22-10-4-5-15-25(22)17-18-11-13-20(14-12-18)24-23(28)26-16-6-9-21(26)19-7-2-1-3-8-19/h4-5,10-15,19,21H,1-3,6-9,16-17H2,(H,24,28)
InChIKeyVBHQLFWLJBFLCR-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.47
Rot. Bonds4

About 2-cyclohexyl-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]pyrrolidine-1-carboxamide

2-cyclohexyl-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]pyrrolidine-1-carboxamide (PubChem CID 71889554) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 2-cyclohexyl-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]pyrrolidine-1-carboxamide
PubChem CID71889554
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name2-cyclohexyl-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(Cn2ccccc2=O)cc1)N1CCCC1C1CCCCC1
InChIInChI=1S/C23H29N3O2/c27-22-10-4-5-15-25(22)17-18-11-13-20(14-12-18)24-23(28)26-16-6-9-21(26)19-7-2-1-3-8-19/h4-5,10-15,19,21H,1-3,6-9,16-17H2,(H,24,28)
InChIKeyVBHQLFWLJBFLCR-UHFFFAOYSA-N
XLogP4.47
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of 2-cyclohexyl-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]pyrrolidine-1-carboxamide (CID 71889554) is 2-cyclohexyl-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-cyclohexyl-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 2-cyclohexyl-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]pyrrolidine-1-carboxamide is O=C(Nc1ccc(Cn2ccccc2=O)cc1)N1CCCC1C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]pyrrolidine-1-carboxamide?
The InChIKey is VBHQLFWLJBFLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c27-22-10-4-5-15-25(22)17-18-11-13-20(14-12-18)24-23(28)26-16-6-9-21(26)19-7-2-1-3-8-19/h4-5,10-15,19,21H,1-3,6-9,16-17H2,(H,24,28).
What are the key properties of 2-cyclohexyl-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]pyrrolidine-1-carboxamide?
2-cyclohexyl-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]pyrrolidine-1-carboxamide has a molecular weight of 379.50 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 71889554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).