4-(3-methylpiperidine-1-carbonyl)-N-(1-phenylethyl)pyridine-2-carboxamide

C21H25N3O2 — CID 109086112

IUPAC4-(3-methylpiperidine-1-carbonyl)-N-(1-phenylethyl)pyridine-2-carboxamide
SMILESCC1CCCN(C(=O)c2ccnc(C(=O)NC(C)c3ccccc3)c2)C1
InChIInChI=1S/C21H25N3O2/c1-15-7-6-12-24(14-15)21(26)18-10-11-22-19(13-18)20(25)23-16(2)17-8-4-3-5-9-17/h3-5,8-11,13,15-16H,6-7,12,14H2,1-2H3,(H,23,25)
InChIKeyIUKNWUOMWTXKSO-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.44
Rot. Bonds4

About 4-(3-methylpiperidine-1-carbonyl)-N-(1-phenylethyl)pyridine-2-carboxamide

4-(3-methylpiperidine-1-carbonyl)-N-(1-phenylethyl)pyridine-2-carboxamide (PubChem CID 109086112) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 4-(3-methylpiperidine-1-carbonyl)-N-(1-phenylethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(3-methylpiperidine-1-carbonyl)-N-(1-phenylethyl)pyridine-2-carboxamide
PubChem CID109086112
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name4-(3-methylpiperidine-1-carbonyl)-N-(1-phenylethyl)pyridine-2-carboxamide
SMILESCC1CCCN(C(=O)c2ccnc(C(=O)NC(C)c3ccccc3)c2)C1
InChIInChI=1S/C21H25N3O2/c1-15-7-6-12-24(14-15)21(26)18-10-11-22-19(13-18)20(25)23-16(2)17-8-4-3-5-9-17/h3-5,8-11,13,15-16H,6-7,12,14H2,1-2H3,(H,23,25)
InChIKeyIUKNWUOMWTXKSO-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-methylpiperidin-1-yl)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109210674
4-(3-methylpiperidine-1-carbonyl)-N-(1-phenylethyl)benzamide
CID 109047024
4-(4-methylpiperazine-1-carbonyl)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109084145
5-(3-methylpiperidine-1-carbonyl)-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109105362
4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 112700608
N-cyclopentyl-4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109080925
N-cycloheptyl-4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109089437
4-(4-methylpiperidine-1-carbonyl)-N-propan-2-ylpyridine-2-carboxamide
CID 109078214
N-butan-2-yl-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109080013
4-(1-phenylethylcarbamoyl)pyridine-2-carboxylic acid
CID 115730036
N-[2-(dimethylamino)ethyl]-4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109083608
(3-methylpiperidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone
CID 167555398

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylpiperidine-1-carbonyl)-N-(1-phenylethyl)pyridine-2-carboxamide?
The IUPAC name of 4-(3-methylpiperidine-1-carbonyl)-N-(1-phenylethyl)pyridine-2-carboxamide (CID 109086112) is 4-(3-methylpiperidine-1-carbonyl)-N-(1-phenylethyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(3-methylpiperidine-1-carbonyl)-N-(1-phenylethyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(3-methylpiperidine-1-carbonyl)-N-(1-phenylethyl)pyridine-2-carboxamide is CC1CCCN(C(=O)c2ccnc(C(=O)NC(C)c3ccccc3)c2)C1.
What is the InChIKey of 4-(3-methylpiperidine-1-carbonyl)-N-(1-phenylethyl)pyridine-2-carboxamide?
The InChIKey is IUKNWUOMWTXKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-15-7-6-12-24(14-15)21(26)18-10-11-22-19(13-18)20(25)23-16(2)17-8-4-3-5-9-17/h3-5,8-11,13,15-16H,6-7,12,14H2,1-2H3,(H,23,25).
What are the key properties of 4-(3-methylpiperidine-1-carbonyl)-N-(1-phenylethyl)pyridine-2-carboxamide?
4-(3-methylpiperidine-1-carbonyl)-N-(1-phenylethyl)pyridine-2-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 4-(3-methylpiperidine-1-carbonyl)-N-(1-phenylethyl)pyridine-2-carboxamide is sourced from PubChem (CID 109086112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).