5-(3-methylpiperidine-1-carbonyl)-N-(1-phenylethyl)pyridine-3-carboxamide

C21H25N3O2 — CID 109105362

IUPAC5-(3-methylpiperidine-1-carbonyl)-N-(1-phenylethyl)pyridine-3-carboxamide
SMILESCC1CCCN(C(=O)c2cncc(C(=O)NC(C)c3ccccc3)c2)C1
InChIInChI=1S/C21H25N3O2/c1-15-7-6-10-24(14-15)21(26)19-11-18(12-22-13-19)20(25)23-16(2)17-8-4-3-5-9-17/h3-5,8-9,11-13,15-16H,6-7,10,14H2,1-2H3,(H,23,25)
InChIKeyPATWMFLLTQWAMP-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.44
Rot. Bonds4

About 5-(3-methylpiperidine-1-carbonyl)-N-(1-phenylethyl)pyridine-3-carboxamide

5-(3-methylpiperidine-1-carbonyl)-N-(1-phenylethyl)pyridine-3-carboxamide (PubChem CID 109105362) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 5-(3-methylpiperidine-1-carbonyl)-N-(1-phenylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(3-methylpiperidine-1-carbonyl)-N-(1-phenylethyl)pyridine-3-carboxamide
PubChem CID109105362
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name5-(3-methylpiperidine-1-carbonyl)-N-(1-phenylethyl)pyridine-3-carboxamide
SMILESCC1CCCN(C(=O)c2cncc(C(=O)NC(C)c3ccccc3)c2)C1
InChIInChI=1S/C21H25N3O2/c1-15-7-6-10-24(14-15)21(26)19-11-18(12-22-13-19)20(25)23-16(2)17-8-4-3-5-9-17/h3-5,8-9,11-13,15-16H,6-7,10,14H2,1-2H3,(H,23,25)
InChIKeyPATWMFLLTQWAMP-UHFFFAOYSA-N
XLogP3.44
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-methylpiperidine-1-carbonyl)-N-(1-phenylethyl)benzamide
CID 109047024
4-(3-methylpiperidine-1-carbonyl)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109086112
N-(2-cyanophenyl)-5-(3-methylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109107563
(3-methylpiperidin-1-yl)-[5-(propan-2-ylamino)-3-pyridinyl]methanone
CID 109223439
N-(4-methylphenyl)-5-(3-methylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109107491
N-(1-phenylethyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide
CID 109225708
N-(3-chlorophenyl)-5-(3-methylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109107515
4-(3-methylpiperidine-1-carbonyl)-N-(1-phenylethyl)benzenesulfonamide
CID 109060714
(5-bromo-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 23907944
N-(2,4-difluorophenyl)-5-(3-methylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109107554
1-(3-methylpiperidine-1-carbonyl)-N-(1-phenylethyl)imidazo[1,5-a]pyridine-3-carboxamide
CID 109070429
ethyl 2-[[5-(3-methylpiperidine-1-carbonyl)pyridine-3-carbonyl]amino]benzoate
CID 109107562

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylpiperidine-1-carbonyl)-N-(1-phenylethyl)pyridine-3-carboxamide?
The IUPAC name of 5-(3-methylpiperidine-1-carbonyl)-N-(1-phenylethyl)pyridine-3-carboxamide (CID 109105362) is 5-(3-methylpiperidine-1-carbonyl)-N-(1-phenylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(3-methylpiperidine-1-carbonyl)-N-(1-phenylethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(3-methylpiperidine-1-carbonyl)-N-(1-phenylethyl)pyridine-3-carboxamide is CC1CCCN(C(=O)c2cncc(C(=O)NC(C)c3ccccc3)c2)C1.
What is the InChIKey of 5-(3-methylpiperidine-1-carbonyl)-N-(1-phenylethyl)pyridine-3-carboxamide?
The InChIKey is PATWMFLLTQWAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-15-7-6-10-24(14-15)21(26)19-11-18(12-22-13-19)20(25)23-16(2)17-8-4-3-5-9-17/h3-5,8-9,11-13,15-16H,6-7,10,14H2,1-2H3,(H,23,25).
What are the key properties of 5-(3-methylpiperidine-1-carbonyl)-N-(1-phenylethyl)pyridine-3-carboxamide?
5-(3-methylpiperidine-1-carbonyl)-N-(1-phenylethyl)pyridine-3-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylpiperidine-1-carbonyl)-N-(1-phenylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 109105362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).