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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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).