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

C14H17N3O2S — CID 126799862

IUPAC6-methyl-4-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCc2csc(C(C)C)n2)c[nH]1
InChIInChI=1S/C14H17N3O2S/c1-8(2)14-17-10(7-20-14)5-16-13(19)11-6-15-9(3)4-12(11)18/h4,6-8H,5H2,1-3H3,(H,15,18)(H,16,19)
InChIKeyUVEHNZGIUOANHW-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.19
Rot. Bonds4

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

6-methyl-4-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyridine-3-carboxamide (PubChem CID 126799862) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 6-methyl-4-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-4-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyridine-3-carboxamide
PubChem CID126799862
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name6-methyl-4-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCc2csc(C(C)C)n2)c[nH]1
InChIInChI=1S/C14H17N3O2S/c1-8(2)14-17-10(7-20-14)5-16-13(19)11-6-15-9(3)4-12(11)18/h4,6-8H,5H2,1-3H3,(H,15,18)(H,16,19)
InChIKeyUVEHNZGIUOANHW-UHFFFAOYSA-N
XLogP2.19
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,4-N-bis[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzene-1,4-dicarboxamide
CID 56561374
4-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 110728056
N-[(2R)-2-hydroxypropyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103884747
2-anilino-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 56557984
6-oxo-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 146075368
methyl N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamate
CID 110728086
3,5-dimethoxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 110728064
N-(2-hydroxy-3-methylbutyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103819928
2-chloro-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 166403785
N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]butanamide
CID 110728040
4,6-dimethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1H-indole-2-carboxamide
CID 56558142
3-cyano-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 110728060

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyridine-3-carboxamide?
The IUPAC name of 6-methyl-4-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyridine-3-carboxamide (CID 126799862) is 6-methyl-4-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-4-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-4-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyridine-3-carboxamide is Cc1cc(=O)c(C(=O)NCc2csc(C(C)C)n2)c[nH]1.
What is the InChIKey of 6-methyl-4-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyridine-3-carboxamide?
The InChIKey is UVEHNZGIUOANHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-8(2)14-17-10(7-20-14)5-16-13(19)11-6-15-9(3)4-12(11)18/h4,6-8H,5H2,1-3H3,(H,15,18)(H,16,19).
What are the key properties of 6-methyl-4-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyridine-3-carboxamide?
6-methyl-4-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyridine-3-carboxamide has a molecular weight of 291.38 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 126799862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).