2-[[4-(2-oxo-1-pyridinyl)phenyl]methylamino]cyclohexane-1-carboxamide

C19H23N3O2 — CID 18453145

IUPAC2-[[4-(2-oxo-1-pyridinyl)phenyl]methylamino]cyclohexane-1-carboxamide
SMILESNC(=O)C1CCCCC1NCc1ccc(-n2ccccc2=O)cc1
InChIInChI=1S/C19H23N3O2/c20-19(24)16-5-1-2-6-17(16)21-13-14-8-10-15(11-9-14)22-12-4-3-7-18(22)23/h3-4,7-12,16-17,21H,1-2,5-6,13H2,(H2,20,24)
InChIKeyWPSOWMOOCKQCDH-UHFFFAOYSA-N
MW325.41 g/mol
LogP1.97
Rot. Bonds5

About 2-[[4-(2-oxo-1-pyridinyl)phenyl]methylamino]cyclohexane-1-carboxamide

2-[[4-(2-oxo-1-pyridinyl)phenyl]methylamino]cyclohexane-1-carboxamide (PubChem CID 18453145) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-[[4-(2-oxo-1-pyridinyl)phenyl]methylamino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-[[4-(2-oxo-1-pyridinyl)phenyl]methylamino]cyclohexane-1-carboxamide
PubChem CID18453145
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name2-[[4-(2-oxo-1-pyridinyl)phenyl]methylamino]cyclohexane-1-carboxamide
SMILESNC(=O)C1CCCCC1NCc1ccc(-n2ccccc2=O)cc1
InChIInChI=1S/C19H23N3O2/c20-19(24)16-5-1-2-6-17(16)21-13-14-8-10-15(11-9-14)22-12-4-3-7-18(22)23/h3-4,7-12,16-17,21H,1-2,5-6,13H2,(H2,20,24)
InChIKeyWPSOWMOOCKQCDH-UHFFFAOYSA-N
XLogP1.97
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-oxo-1-pyridinyl)phenyl]methylamino]cyclohexane-1-carboxamide?
The IUPAC name of 2-[[4-(2-oxo-1-pyridinyl)phenyl]methylamino]cyclohexane-1-carboxamide (CID 18453145) is 2-[[4-(2-oxo-1-pyridinyl)phenyl]methylamino]cyclohexane-1-carboxamide.
What is the SMILES notation for 2-[[4-(2-oxo-1-pyridinyl)phenyl]methylamino]cyclohexane-1-carboxamide?
The canonical SMILES for 2-[[4-(2-oxo-1-pyridinyl)phenyl]methylamino]cyclohexane-1-carboxamide is NC(=O)C1CCCCC1NCc1ccc(-n2ccccc2=O)cc1.
What is the InChIKey of 2-[[4-(2-oxo-1-pyridinyl)phenyl]methylamino]cyclohexane-1-carboxamide?
The InChIKey is WPSOWMOOCKQCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c20-19(24)16-5-1-2-6-17(16)21-13-14-8-10-15(11-9-14)22-12-4-3-7-18(22)23/h3-4,7-12,16-17,21H,1-2,5-6,13H2,(H2,20,24).
What are the key properties of 2-[[4-(2-oxo-1-pyridinyl)phenyl]methylamino]cyclohexane-1-carboxamide?
2-[[4-(2-oxo-1-pyridinyl)phenyl]methylamino]cyclohexane-1-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-oxo-1-pyridinyl)phenyl]methylamino]cyclohexane-1-carboxamide is sourced from PubChem (CID 18453145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).