2-(methylamino)-N-(3-phenylbutyl)pyridine-3-carboxamide

C17H21N3O — CID 62986832

IUPAC2-(methylamino)-N-(3-phenylbutyl)pyridine-3-carboxamide
SMILESCNc1ncccc1C(=O)NCCC(C)c1ccccc1
InChIInChI=1S/C17H21N3O/c1-13(14-7-4-3-5-8-14)10-12-20-17(21)15-9-6-11-19-16(15)18-2/h3-9,11,13H,10,12H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyYXHBNPNBGHEFDP-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.05
Rot. Bonds6

About 2-(methylamino)-N-(3-phenylbutyl)pyridine-3-carboxamide

2-(methylamino)-N-(3-phenylbutyl)pyridine-3-carboxamide (PubChem CID 62986832) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-(methylamino)-N-(3-phenylbutyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(methylamino)-N-(3-phenylbutyl)pyridine-3-carboxamide
PubChem CID62986832
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name2-(methylamino)-N-(3-phenylbutyl)pyridine-3-carboxamide
SMILESCNc1ncccc1C(=O)NCCC(C)c1ccccc1
InChIInChI=1S/C17H21N3O/c1-13(14-7-4-3-5-8-14)10-12-20-17(21)15-9-6-11-19-16(15)18-2/h3-9,11,13H,10,12H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyYXHBNPNBGHEFDP-UHFFFAOYSA-N
XLogP3.05
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxy-3-phenylpropyl)-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 111661954
N-(3-phenylbutyl)-2-sulfanylbenzamide
CID 107028920
3-amino-N-(3-phenylbutyl)pyridine-2-carboxamide
CID 104742250
4-(methylamino)-N-(3-phenylbutyl)pyridine-2-carboxamide
CID 62986653
2-(methylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-3-carboxamide
CID 106050180
N-(3,3-diphenylpropyl)-2-methylpyridine-3-carboxamide
CID 11976200
N-(3-phenylbutyl)benzamide
CID 62403316
3-fluoro-N-(3-phenylbutyl)pyridine-4-carboxamide
CID 115646100
4-(methylamino)-N-(3-phenylbutyl)benzamide
CID 62987359
N-(2,2-dimethylpropyl)-2-(methylamino)pyridine-3-carboxamide
CID 62181506
N-(2-amino-2-oxoethyl)-2-(methylamino)pyridine-3-carboxamide
CID 62172228
N-(2-cyclopentylethyl)-2-(methylamino)pyridine-3-carboxamide
CID 62180220

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-(3-phenylbutyl)pyridine-3-carboxamide?
The IUPAC name of 2-(methylamino)-N-(3-phenylbutyl)pyridine-3-carboxamide (CID 62986832) is 2-(methylamino)-N-(3-phenylbutyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(methylamino)-N-(3-phenylbutyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(methylamino)-N-(3-phenylbutyl)pyridine-3-carboxamide is CNc1ncccc1C(=O)NCCC(C)c1ccccc1.
What is the InChIKey of 2-(methylamino)-N-(3-phenylbutyl)pyridine-3-carboxamide?
The InChIKey is YXHBNPNBGHEFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-13(14-7-4-3-5-8-14)10-12-20-17(21)15-9-6-11-19-16(15)18-2/h3-9,11,13H,10,12H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 2-(methylamino)-N-(3-phenylbutyl)pyridine-3-carboxamide?
2-(methylamino)-N-(3-phenylbutyl)pyridine-3-carboxamide has a molecular weight of 283.38 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-(3-phenylbutyl)pyridine-3-carboxamide is sourced from PubChem (CID 62986832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).