2-ethyl-6-oxo-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-1H-pyridine-4-carboxamide

C16H20N4O2S — CID 74231803

IUPAC2-ethyl-6-oxo-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-1H-pyridine-4-carboxamide
SMILESCCc1cc(C(=O)NCc2csc(N3CCCC3)n2)cc(=O)[nH]1
InChIInChI=1S/C16H20N4O2S/c1-2-12-7-11(8-14(21)18-12)15(22)17-9-13-10-23-16(19-13)20-5-3-4-6-20/h7-8,10H,2-6,9H2,1H3,(H,17,22)(H,18,21)
InChIKeyILPGECVNGLPCNW-UHFFFAOYSA-N
MW332.43 g/mol
LogP1.92
Rot. Bonds5

About 2-ethyl-6-oxo-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-1H-pyridine-4-carboxamide

2-ethyl-6-oxo-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-1H-pyridine-4-carboxamide (PubChem CID 74231803) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is 2-ethyl-6-oxo-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-1H-pyridine-4-carboxamide.

Molecular Properties

Compound Name2-ethyl-6-oxo-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-1H-pyridine-4-carboxamide
PubChem CID74231803
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name2-ethyl-6-oxo-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-1H-pyridine-4-carboxamide
SMILESCCc1cc(C(=O)NCc2csc(N3CCCC3)n2)cc(=O)[nH]1
InChIInChI=1S/C16H20N4O2S/c1-2-12-7-11(8-14(21)18-12)15(22)17-9-13-10-23-16(19-13)20-5-3-4-6-20/h7-8,10H,2-6,9H2,1H3,(H,17,22)(H,18,21)
InChIKeyILPGECVNGLPCNW-UHFFFAOYSA-N
XLogP1.92
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-N-[(5-methylpyrazin-2-yl)methyl]-6-oxo-1H-pyridine-4-carboxamide
CID 74240929
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-ethyl-6-oxo-1H-pyridine-4-carboxamide
CID 118769382
N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 72842732
2-cyclopropyl-6-[[(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)amino]methyl]pyridine-3-carboxylic acid
CID 167898652
3,4-dimethyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]benzamide
CID 110398045
2-methoxy-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 72840477
N-(cyclopentylmethyl)-2-ethyl-6-oxo-1H-pyridine-4-carboxamide
CID 146131237
2-(2-methylpropyl)-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-6-oxo-1H-pyridine-4-carboxamide
CID 136532891
N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-1,3-benzothiazole-7-carboxamide
CID 162634908
2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 91830066
3-methyl-N-[2-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethyl]benzamide
CID 110398163
3-morpholin-4-yl-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-1,2-oxazole-5-carboxamide
CID 138384779

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-oxo-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-1H-pyridine-4-carboxamide?
The IUPAC name of 2-ethyl-6-oxo-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-1H-pyridine-4-carboxamide (CID 74231803) is 2-ethyl-6-oxo-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-1H-pyridine-4-carboxamide.
What is the SMILES notation for 2-ethyl-6-oxo-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-1H-pyridine-4-carboxamide?
The canonical SMILES for 2-ethyl-6-oxo-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-1H-pyridine-4-carboxamide is CCc1cc(C(=O)NCc2csc(N3CCCC3)n2)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-6-oxo-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-1H-pyridine-4-carboxamide?
The InChIKey is ILPGECVNGLPCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-2-12-7-11(8-14(21)18-12)15(22)17-9-13-10-23-16(19-13)20-5-3-4-6-20/h7-8,10H,2-6,9H2,1H3,(H,17,22)(H,18,21).
What are the key properties of 2-ethyl-6-oxo-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-1H-pyridine-4-carboxamide?
2-ethyl-6-oxo-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-1H-pyridine-4-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-oxo-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-1H-pyridine-4-carboxamide is sourced from PubChem (CID 74231803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).