2-(dimethylamino)-N-[(1R)-1-phenylethyl]pyridine-3-carboxamide

C16H19N3O — CID 38885280

IUPAC2-(dimethylamino)-N-[(1R)-1-phenylethyl]pyridine-3-carboxamide
SMILESC[C@@H](NC(=O)c1cccnc1N(C)C)c1ccccc1
InChIInChI=1S/C16H19N3O/c1-12(13-8-5-4-6-9-13)18-16(20)14-10-7-11-17-15(14)19(2)3/h4-12H,1-3H3,(H,18,20)/t12-/m1/s1
InChIKeyKXJQAIILEIOYPJ-GFCCVEGCSA-N
MW269.35 g/mol
LogP2.64
Rot. Bonds4

About 2-(dimethylamino)-N-[(1R)-1-phenylethyl]pyridine-3-carboxamide

2-(dimethylamino)-N-[(1R)-1-phenylethyl]pyridine-3-carboxamide (PubChem CID 38885280) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[(1R)-1-phenylethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[(1R)-1-phenylethyl]pyridine-3-carboxamide
PubChem CID38885280
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name2-(dimethylamino)-N-[(1R)-1-phenylethyl]pyridine-3-carboxamide
SMILESC[C@@H](NC(=O)c1cccnc1N(C)C)c1ccccc1
InChIInChI=1S/C16H19N3O/c1-12(13-8-5-4-6-9-13)18-16(20)14-10-7-11-17-15(14)19(2)3/h4-12H,1-3H3,(H,18,20)/t12-/m1/s1
InChIKeyKXJQAIILEIOYPJ-GFCCVEGCSA-N
XLogP2.64
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(dimethylamino)pyridine-3-carboxamide
CID 38920019
2-(dimethylamino)-N-[(1R)-1-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 38915865
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(dimethylamino)pyridine-3-carboxamide
CID 38919428
2-chloro-N-[(1R)-1-phenylethyl]pyridine-3-carboxamide
CID 7657098
N-(1-phenylethyl)quinoline-8-carboxamide
CID 51180563
2-[[(1R)-1-phenylethyl]carbamoyl]pyridine-3-carboxylic acid
CID 63866897
2-(dimethylamino)-N-phenylpyridine-3-carboxamide
CID 38885522
N-[(1R)-1-phenylethyl]pyrimidine-2-carboxamide
CID 91294472
2-N-(1-phenylethyl)benzene-1,2-dicarboxamide
CID 22396198
2-[2,6-bis(1-phenylethylcarbamoyl)phenyl]-1-N,3-N-bis(1-phenylethyl)benzene-1,3-dicarboxamide
CID 570721
2-(dimethylamino)-N-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]pyridine-3-carboxamide
CID 125166898
N-(1-phenylethyl)-2-sulfanylbenzamide
CID 113218601

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[(1R)-1-phenylethyl]pyridine-3-carboxamide?
The IUPAC name of 2-(dimethylamino)-N-[(1R)-1-phenylethyl]pyridine-3-carboxamide (CID 38885280) is 2-(dimethylamino)-N-[(1R)-1-phenylethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(dimethylamino)-N-[(1R)-1-phenylethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(dimethylamino)-N-[(1R)-1-phenylethyl]pyridine-3-carboxamide is C[C@@H](NC(=O)c1cccnc1N(C)C)c1ccccc1.
What is the InChIKey of 2-(dimethylamino)-N-[(1R)-1-phenylethyl]pyridine-3-carboxamide?
The InChIKey is KXJQAIILEIOYPJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H19N3O/c1-12(13-8-5-4-6-9-13)18-16(20)14-10-7-11-17-15(14)19(2)3/h4-12H,1-3H3,(H,18,20)/t12-/m1/s1.
What are the key properties of 2-(dimethylamino)-N-[(1R)-1-phenylethyl]pyridine-3-carboxamide?
2-(dimethylamino)-N-[(1R)-1-phenylethyl]pyridine-3-carboxamide has a molecular weight of 269.35 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[(1R)-1-phenylethyl]pyridine-3-carboxamide is sourced from PubChem (CID 38885280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).