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

C16H21N3O2S — CID 118769382

IUPACN-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-ethyl-6-oxo-1H-pyridine-4-carboxamide
SMILESCCc1cc(C(=O)NCc2nc(C(C)(C)C)cs2)cc(=O)[nH]1
InChIInChI=1S/C16H21N3O2S/c1-5-11-6-10(7-13(20)18-11)15(21)17-8-14-19-12(9-22-14)16(2,3)4/h6-7,9H,5,8H2,1-4H3,(H,17,21)(H,18,20)
InChIKeyMJHHBFLDHHSYGH-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.62
Rot. Bonds4

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

N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-ethyl-6-oxo-1H-pyridine-4-carboxamide (PubChem CID 118769382) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-ethyl-6-oxo-1H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-ethyl-6-oxo-1H-pyridine-4-carboxamide
PubChem CID118769382
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC NameN-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-ethyl-6-oxo-1H-pyridine-4-carboxamide
SMILESCCc1cc(C(=O)NCc2nc(C(C)(C)C)cs2)cc(=O)[nH]1
InChIInChI=1S/C16H21N3O2S/c1-5-11-6-10(7-13(20)18-11)15(21)17-8-14-19-12(9-22-14)16(2,3)4/h6-7,9H,5,8H2,1-4H3,(H,17,21)(H,18,20)
InChIKeyMJHHBFLDHHSYGH-UHFFFAOYSA-N
XLogP2.62
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-ethyl-6-oxo-1H-pyridine-4-carboxamide with MolForge

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Related Compounds

3-amino-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]benzamide
CID 119878887
2-ethyl-6-oxo-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-1H-pyridine-4-carboxamide
CID 74231803
2-ethyl-N-[(5-methylpyrazin-2-yl)methyl]-6-oxo-1H-pyridine-4-carboxamide
CID 74240929
3-amino-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-5-carboxamide
CID 122572146
2-ethyl-N-iodo-6-oxo-1H-pyridine-4-carboxamide
CID 170233626
4-amino-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]butanamide
CID 119878910
1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-(2-ethyl-2-hydroxybutyl)urea
CID 111104399
N-(cyclopentylmethyl)-2-ethyl-6-oxo-1H-pyridine-4-carboxamide
CID 146131237
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119878911
2-cyclopropyl-6-[[(2-ethyl-6-oxo-1H-pyridine-4-carbonyl)amino]methyl]pyridine-3-carboxylic acid
CID 167898652
2-ethyl-N-(2-ethylsulfanylethyl)-6-oxo-1H-pyridine-4-carboxamide
CID 74247398
4-[[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106380837

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-ethyl-6-oxo-1H-pyridine-4-carboxamide?
The IUPAC name of N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-ethyl-6-oxo-1H-pyridine-4-carboxamide (CID 118769382) is N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-ethyl-6-oxo-1H-pyridine-4-carboxamide.
What is the SMILES notation for N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-ethyl-6-oxo-1H-pyridine-4-carboxamide?
The canonical SMILES for N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-ethyl-6-oxo-1H-pyridine-4-carboxamide is CCc1cc(C(=O)NCc2nc(C(C)(C)C)cs2)cc(=O)[nH]1.
What is the InChIKey of N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-ethyl-6-oxo-1H-pyridine-4-carboxamide?
The InChIKey is MJHHBFLDHHSYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-5-11-6-10(7-13(20)18-11)15(21)17-8-14-19-12(9-22-14)16(2,3)4/h6-7,9H,5,8H2,1-4H3,(H,17,21)(H,18,20).
What are the key properties of N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-ethyl-6-oxo-1H-pyridine-4-carboxamide?
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-ethyl-6-oxo-1H-pyridine-4-carboxamide has a molecular weight of 319.43 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-ethyl-6-oxo-1H-pyridine-4-carboxamide is sourced from PubChem (CID 118769382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).