2-(dimethylamino)-N-(3-phenyl-2-piperidin-1-ylpropyl)pyridine-3-carboxamide

C22H30N4O — CID 110617732

IUPAC2-(dimethylamino)-N-(3-phenyl-2-piperidin-1-ylpropyl)pyridine-3-carboxamide
SMILESCN(C)c1ncccc1C(=O)NCC(Cc1ccccc1)N1CCCCC1
InChIInChI=1S/C22H30N4O/c1-25(2)21-20(12-9-13-23-21)22(27)24-17-19(26-14-7-4-8-15-26)16-18-10-5-3-6-11-18/h3,5-6,9-13,19H,4,7-8,14-17H2,1-2H3,(H,24,27)
InChIKeyKTEMDJZNHBTKIW-UHFFFAOYSA-N
MW366.51 g/mol
LogP2.97
Rot. Bonds7

About 2-(dimethylamino)-N-(3-phenyl-2-piperidin-1-ylpropyl)pyridine-3-carboxamide

2-(dimethylamino)-N-(3-phenyl-2-piperidin-1-ylpropyl)pyridine-3-carboxamide (PubChem CID 110617732) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is 2-(dimethylamino)-N-(3-phenyl-2-piperidin-1-ylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-(3-phenyl-2-piperidin-1-ylpropyl)pyridine-3-carboxamide
PubChem CID110617732
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name2-(dimethylamino)-N-(3-phenyl-2-piperidin-1-ylpropyl)pyridine-3-carboxamide
SMILESCN(C)c1ncccc1C(=O)NCC(Cc1ccccc1)N1CCCCC1
InChIInChI=1S/C22H30N4O/c1-25(2)21-20(12-9-13-23-21)22(27)24-17-19(26-14-7-4-8-15-26)16-18-10-5-3-6-11-18/h3,5-6,9-13,19H,4,7-8,14-17H2,1-2H3,(H,24,27)
InChIKeyKTEMDJZNHBTKIW-UHFFFAOYSA-N
XLogP2.97
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-2-(dimethylamino)pyridine-3-carboxamide
CID 110301839
methyl N-(3-phenyl-2-piperidin-1-ylpropyl)carbamate
CID 110403986
N-(3-phenyl-2-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide
CID 110403885
N-(3-phenyl-2-piperidin-1-ylpropyl)cyclopropanecarboxamide
CID 110403968
2-fluoro-N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]benzamide
CID 110404026
3-fluoro-N-(3-phenyl-2-pyrrolidin-1-ylpropyl)benzamide
CID 110403888
1-benzyl-3-(3-phenyl-2-pyrrolidin-1-ylpropyl)urea
CID 110403915
N-(2-morpholin-4-yl-3-phenylpropyl)pyridine-2-carboxamide
CID 110665487
3-acetamido-N-(3-phenyl-2-piperidin-1-ylpropyl)propanamide
CID 110420824
2-methoxy-N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]benzamide
CID 110404030
2-cyclopropyl-N-(3-phenyl-2-pyrrolidin-1-ylpropyl)propanamide
CID 110611083
2-chloro-N-(2-piperidin-1-ylpropyl)pyridine-3-carboxamide
CID 61053126

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-(3-phenyl-2-piperidin-1-ylpropyl)pyridine-3-carboxamide?
The IUPAC name of 2-(dimethylamino)-N-(3-phenyl-2-piperidin-1-ylpropyl)pyridine-3-carboxamide (CID 110617732) is 2-(dimethylamino)-N-(3-phenyl-2-piperidin-1-ylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(dimethylamino)-N-(3-phenyl-2-piperidin-1-ylpropyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(dimethylamino)-N-(3-phenyl-2-piperidin-1-ylpropyl)pyridine-3-carboxamide is CN(C)c1ncccc1C(=O)NCC(Cc1ccccc1)N1CCCCC1.
What is the InChIKey of 2-(dimethylamino)-N-(3-phenyl-2-piperidin-1-ylpropyl)pyridine-3-carboxamide?
The InChIKey is KTEMDJZNHBTKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-25(2)21-20(12-9-13-23-21)22(27)24-17-19(26-14-7-4-8-15-26)16-18-10-5-3-6-11-18/h3,5-6,9-13,19H,4,7-8,14-17H2,1-2H3,(H,24,27).
What are the key properties of 2-(dimethylamino)-N-(3-phenyl-2-piperidin-1-ylpropyl)pyridine-3-carboxamide?
2-(dimethylamino)-N-(3-phenyl-2-piperidin-1-ylpropyl)pyridine-3-carboxamide has a molecular weight of 366.51 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-(3-phenyl-2-piperidin-1-ylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 110617732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).