4-(3-methylpiperidin-1-yl)-N-(1-phenylethyl)pyridine-2-carboxamide

C20H25N3O — CID 109210674

IUPAC4-(3-methylpiperidin-1-yl)-N-(1-phenylethyl)pyridine-2-carboxamide
SMILESCC1CCCN(c2ccnc(C(=O)NC(C)c3ccccc3)c2)C1
InChIInChI=1S/C20H25N3O/c1-15-7-6-12-23(14-15)18-10-11-21-19(13-18)20(24)22-16(2)17-8-4-3-5-9-17/h3-5,8-11,13,15-16H,6-7,12,14H2,1-2H3,(H,22,24)
InChIKeySVWRUGVGSANKHS-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.81
Rot. Bonds4

About 4-(3-methylpiperidin-1-yl)-N-(1-phenylethyl)pyridine-2-carboxamide

4-(3-methylpiperidin-1-yl)-N-(1-phenylethyl)pyridine-2-carboxamide (PubChem CID 109210674) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 4-(3-methylpiperidin-1-yl)-N-(1-phenylethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(3-methylpiperidin-1-yl)-N-(1-phenylethyl)pyridine-2-carboxamide
PubChem CID109210674
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name4-(3-methylpiperidin-1-yl)-N-(1-phenylethyl)pyridine-2-carboxamide
SMILESCC1CCCN(c2ccnc(C(=O)NC(C)c3ccccc3)c2)C1
InChIInChI=1S/C20H25N3O/c1-15-7-6-12-23(14-15)18-10-11-21-19(13-18)20(24)22-16(2)17-8-4-3-5-9-17/h3-5,8-11,13,15-16H,6-7,12,14H2,1-2H3,(H,22,24)
InChIKeySVWRUGVGSANKHS-UHFFFAOYSA-N
XLogP3.81
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-methylpiperidine-1-carbonyl)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109086112
N-butan-2-yl-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109203312
4-(3-methylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109218222
N-(2-tert-butylphenyl)-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109218225
4-(3-methylpiperidin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109218267
N-(3-chloro-4-methylphenyl)-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109218235
N-[(1R)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]-4-phenylbenzamide
CID 125042587
N-[(1R)-1-[4-[(3R)-3-methylpiperidin-1-yl]phenyl]ethyl]pyridine-3-carboxamide
CID 100629639
4-(cycloheptylamino)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109210668
4-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylpyridine-2-carboxamide
CID 124749236
N-[(4-chlorophenyl)methyl]-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109211807
N-(3-cyanophenyl)-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109218300

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylpiperidin-1-yl)-N-(1-phenylethyl)pyridine-2-carboxamide?
The IUPAC name of 4-(3-methylpiperidin-1-yl)-N-(1-phenylethyl)pyridine-2-carboxamide (CID 109210674) is 4-(3-methylpiperidin-1-yl)-N-(1-phenylethyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(3-methylpiperidin-1-yl)-N-(1-phenylethyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(3-methylpiperidin-1-yl)-N-(1-phenylethyl)pyridine-2-carboxamide is CC1CCCN(c2ccnc(C(=O)NC(C)c3ccccc3)c2)C1.
What is the InChIKey of 4-(3-methylpiperidin-1-yl)-N-(1-phenylethyl)pyridine-2-carboxamide?
The InChIKey is SVWRUGVGSANKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-15-7-6-12-23(14-15)18-10-11-21-19(13-18)20(24)22-16(2)17-8-4-3-5-9-17/h3-5,8-11,13,15-16H,6-7,12,14H2,1-2H3,(H,22,24).
What are the key properties of 4-(3-methylpiperidin-1-yl)-N-(1-phenylethyl)pyridine-2-carboxamide?
4-(3-methylpiperidin-1-yl)-N-(1-phenylethyl)pyridine-2-carboxamide has a molecular weight of 323.44 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylpiperidin-1-yl)-N-(1-phenylethyl)pyridine-2-carboxamide is sourced from PubChem (CID 109210674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).