N-benzyl-N-propan-2-ylpyridine-2-carboxamide

C16H18N2O — CID 42778097

IUPACN-benzyl-N-propan-2-ylpyridine-2-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)c1ccccn1
InChIInChI=1S/C16H18N2O/c1-13(2)18(12-14-8-4-3-5-9-14)16(19)15-10-6-7-11-17-15/h3-11,13H,12H2,1-2H3
InChIKeyWXIYLIDJEOCKTR-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.13
Rot. Bonds4

About N-benzyl-N-propan-2-ylpyridine-2-carboxamide

N-benzyl-N-propan-2-ylpyridine-2-carboxamide (PubChem CID 42778097) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is N-benzyl-N-propan-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-propan-2-ylpyridine-2-carboxamide
PubChem CID42778097
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC NameN-benzyl-N-propan-2-ylpyridine-2-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)c1ccccn1
InChIInChI=1S/C16H18N2O/c1-13(2)18(12-14-8-4-3-5-9-14)16(19)15-10-6-7-11-17-15/h3-11,13H,12H2,1-2H3
InChIKeyWXIYLIDJEOCKTR-UHFFFAOYSA-N
XLogP3.13
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-methylphenyl)methyl]-N-propan-2-ylpyridine-2-carboxamide
CID 50971930
N-benzyl-5-chloro-N-propan-2-ylpyrazine-2-carboxamide
CID 103817103
N-benzyl-4-(N-ethylanilino)-N-propan-2-ylpyridine-2-carboxamide
CID 109217216
6-N-benzyl-6-N-propan-2-yl-2-N-propylpyridine-2,6-dicarboxamide
CID 109093496
N-benzyl-2-[(4-methylphenyl)methylamino]-N-propan-2-ylpyrimidine-4-carboxamide
CID 109304481
N-benzyl-5-(dipropylamino)-N-propan-2-ylpyridine-2-carboxamide
CID 109195430
2-N-benzyl-4-N-butan-2-yl-2-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109080007
N-benzyl-6-[benzyl(methyl)amino]-N-propan-2-ylpyrimidine-4-carboxamide
CID 109347788
N-benzyl-2,2-dimethyl-N-propan-2-yl-N'-(pyridin-2-ylmethyl)propanediamide
CID 108963371
N-benzyl-2-(4-ethylpiperazin-1-yl)-N-propan-2-ylpyrimidine-4-carboxamide
CID 109302421
N-benzyl-2-[3-(dimethylamino)propylamino]-N-propan-2-ylpyrimidine-4-carboxamide
CID 109301738
N-benzyl-4-(3,4-difluoroanilino)-N-propan-2-ylpyridine-2-carboxamide
CID 109217237

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-propan-2-ylpyridine-2-carboxamide?
The IUPAC name of N-benzyl-N-propan-2-ylpyridine-2-carboxamide (CID 42778097) is N-benzyl-N-propan-2-ylpyridine-2-carboxamide.
What is the SMILES notation for N-benzyl-N-propan-2-ylpyridine-2-carboxamide?
The canonical SMILES for N-benzyl-N-propan-2-ylpyridine-2-carboxamide is CC(C)N(Cc1ccccc1)C(=O)c1ccccn1.
What is the InChIKey of N-benzyl-N-propan-2-ylpyridine-2-carboxamide?
The InChIKey is WXIYLIDJEOCKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-13(2)18(12-14-8-4-3-5-9-14)16(19)15-10-6-7-11-17-15/h3-11,13H,12H2,1-2H3.
What are the key properties of N-benzyl-N-propan-2-ylpyridine-2-carboxamide?
N-benzyl-N-propan-2-ylpyridine-2-carboxamide has a molecular weight of 254.33 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-propan-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 42778097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).