N-cyclohexyl-5-(1-phenylethylamino)pyridine-2-carboxamide

C20H25N3O — CID 109182921

IUPACN-cyclohexyl-5-(1-phenylethylamino)pyridine-2-carboxamide
SMILESCC(Nc1ccc(C(=O)NC2CCCCC2)nc1)c1ccccc1
InChIInChI=1S/C20H25N3O/c1-15(16-8-4-2-5-9-16)22-18-12-13-19(21-14-18)20(24)23-17-10-6-3-7-11-17/h2,4-5,8-9,12-15,17,22H,3,6-7,10-11H2,1H3,(H,23,24)
InChIKeyBWTDRDAUVUBKHA-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.32
Rot. Bonds5

About N-cyclohexyl-5-(1-phenylethylamino)pyridine-2-carboxamide

N-cyclohexyl-5-(1-phenylethylamino)pyridine-2-carboxamide (PubChem CID 109182921) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is N-cyclohexyl-5-(1-phenylethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-(1-phenylethylamino)pyridine-2-carboxamide
PubChem CID109182921
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC NameN-cyclohexyl-5-(1-phenylethylamino)pyridine-2-carboxamide
SMILESCC(Nc1ccc(C(=O)NC2CCCCC2)nc1)c1ccccc1
InChIInChI=1S/C20H25N3O/c1-15(16-8-4-2-5-9-16)22-18-12-13-19(21-14-18)20(24)23-17-10-6-3-7-11-17/h2,4-5,8-9,12-15,17,22H,3,6-7,10-11H2,1H3,(H,23,24)
InChIKeyBWTDRDAUVUBKHA-UHFFFAOYSA-N
XLogP4.32
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-3-[5-(1-phenylethylamino)-2-pyridinyl]urea
CID 113026834
N-cycloheptyl-2-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109304746
5-(cyclohexylamino)-N-cyclopropylpyridine-2-carboxamide
CID 109179840
2-N-cyclopentyl-6-N-(1-phenylethyl)pyridine-2,6-dicarboxamide
CID 109094954
N-cycloheptyl-5-(4-methylanilino)pyridine-2-carboxamide
CID 109195297
5-(butan-2-ylamino)-N-cyclopropylpyridine-2-carboxamide
CID 109179836
N-cyclopentyl-5-(2-methylanilino)pyridine-2-carboxamide
CID 109182241
5-(4-acetamidoanilino)-N-cyclohexylpyridine-2-carboxamide
CID 109183029
N-cycloheptyl-5-(pentylamino)pyridine-2-carboxamide
CID 109195288
N-cyclohexyl-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109182931
1-cyclohexyl-3-[(1R)-1-phenylethyl]urea
CID 840473
N-(5-methyl-1,2-oxazol-3-yl)-5-(1-phenylethylamino)pyridine-2-carboxamide
CID 109189087

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-(1-phenylethylamino)pyridine-2-carboxamide?
The IUPAC name of N-cyclohexyl-5-(1-phenylethylamino)pyridine-2-carboxamide (CID 109182921) is N-cyclohexyl-5-(1-phenylethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-(1-phenylethylamino)pyridine-2-carboxamide?
The canonical SMILES for N-cyclohexyl-5-(1-phenylethylamino)pyridine-2-carboxamide is CC(Nc1ccc(C(=O)NC2CCCCC2)nc1)c1ccccc1.
What is the InChIKey of N-cyclohexyl-5-(1-phenylethylamino)pyridine-2-carboxamide?
The InChIKey is BWTDRDAUVUBKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-15(16-8-4-2-5-9-16)22-18-12-13-19(21-14-18)20(24)23-17-10-6-3-7-11-17/h2,4-5,8-9,12-15,17,22H,3,6-7,10-11H2,1H3,(H,23,24).
What are the key properties of N-cyclohexyl-5-(1-phenylethylamino)pyridine-2-carboxamide?
N-cyclohexyl-5-(1-phenylethylamino)pyridine-2-carboxamide has a molecular weight of 323.44 g/mol, XLogP of 4.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-(1-phenylethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109182921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).