2-(diethylamino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide

C15H19N3OS — CID 650596

IUPAC2-(diethylamino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
SMILESCCN(CC)c1ncccc1C(=O)NCc1cccs1
InChIInChI=1S/C15H19N3OS/c1-3-18(4-2)14-13(8-5-9-16-14)15(19)17-11-12-7-6-10-20-12/h5-10H,3-4,11H2,1-2H3,(H,17,19)
InChIKeyGXAGRJWHJOVFBM-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.92
Rot. Bonds6

About 2-(diethylamino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide

2-(diethylamino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 650596) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-(diethylamino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(diethylamino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
PubChem CID650596
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name2-(diethylamino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
SMILESCCN(CC)c1ncccc1C(=O)NCc1cccs1
InChIInChI=1S/C15H19N3OS/c1-3-18(4-2)14-13(8-5-9-16-14)15(19)17-11-12-7-6-10-20-12/h5-10H,3-4,11H2,1-2H3,(H,17,19)
InChIKeyGXAGRJWHJOVFBM-UHFFFAOYSA-N
XLogP2.92
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 506605
N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
CID 573874
N,N-dimethyl-2-[3-[4-(2-methylsulfanylphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide
CID 10549680
N-(2-aminoethyl)-5-[2-[(3-methyl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide
CID 57867446
N-(5-chloropyridin-2-yl)-5-propylthiophene-3-carboxamide
CID 1246828
3-methyl-N-(5-methylpyridin-2-yl)thiophene-2-carboxamide
CID 24686059
2-Thiophenecarboxamide, N-2-pyridinyl-
CID 759105
Dipyridodiazepinone deriv. 44
CID 463564
Dipyridodiazepinone deriv. 45
CID 463565
2-amino-6-ethyl-5-(4-pyridylsulfanyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 44221347
Thiophene-2-carboxylic acid [5-(2,2-dimethyl-propionylamino)-4-methyl-pyridin-2-yl]-amide
CID 1449124
Thiophene-2-carboxylic acid (5-isobutyrylamino-4-methyl-pyridin-2-yl)-amide
CID 1449519

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 2-(diethylamino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide (CID 650596) is 2-(diethylamino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(diethylamino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(diethylamino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide is CCN(CC)c1ncccc1C(=O)NCc1cccs1.
What is the InChIKey of 2-(diethylamino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is GXAGRJWHJOVFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-3-18(4-2)14-13(8-5-9-16-14)15(19)17-11-12-7-6-10-20-12/h5-10H,3-4,11H2,1-2H3,(H,17,19).
What are the key properties of 2-(diethylamino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide?
2-(diethylamino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 289.40 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 650596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).