N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-6-oxo-1H-pyridine-3-carboxamide

C16H17N5O2S — CID 71802058

IUPACN-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(C)n(-c2nc(CCNC(=O)c3ccc(=O)[nH]c3)cs2)n1
InChIInChI=1S/C16H17N5O2S/c1-10-7-11(2)21(20-10)16-19-13(9-24-16)5-6-17-15(23)12-3-4-14(22)18-8-12/h3-4,7-9H,5-6H2,1-2H3,(H,17,23)(H,18,22)
InChIKeyMSAFQIQSAQGNCY-UHFFFAOYSA-N
MW343.41 g/mol
LogP1.61
Rot. Bonds5

About N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-6-oxo-1H-pyridine-3-carboxamide

N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 71802058) has the molecular formula C16H17N5O2S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID71802058
Molecular FormulaC16H17N5O2S
Molecular Weight343.41 g/mol
Exact Mass343.11
IUPAC NameN-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(C)n(-c2nc(CCNC(=O)c3ccc(=O)[nH]c3)cs2)n1
InChIInChI=1S/C16H17N5O2S/c1-10-7-11(2)21(20-10)16-19-13(9-24-16)5-6-17-15(23)12-3-4-14(22)18-8-12/h3-4,7-9H,5-6H2,1-2H3,(H,17,23)(H,18,22)
InChIKeyMSAFQIQSAQGNCY-UHFFFAOYSA-N
XLogP1.61
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 46968831
2-(3,5-Dimethylpyrazol-1-YL)-N-[2-(piperidine-1-sulfonyl)ethyl]-1,3-thiazole-4-carboxamide
CID 46969398
N-(2-(2-(3,5-dimethyl-1H-pyrazol-1-yl)thiazol-4-yl)ethyl)-3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanamide
CID 71802064
ethyl 4-((2-(2-(3,5-dimethyl-1H-pyrazol-1-yl)thiazol-4-yl)ethyl)amino)-4-oxobutanoate
CID 71802072
N-(2-(2-(3,5-dimethyl-1H-pyrazol-1-yl)thiazol-4-yl)ethyl)-2-(N-methylmethylsulfonamido)acetamide
CID 71802113
N-(2-(2-(1H-pyrazol-1-yl)thiazol-4-yl)ethyl)-1-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 71802167
1-methyl-6-oxo-N-{2-[2-(1H-pyrazol-1-yl)-1,3-thiazol-4-yl]ethyl}-1,6-dihydropyridazine-3-carboxamide
CID 71802171
N-{2-[2-(3,5-dimethyl-1-pyrazolyl)-1,3-thiazol-4-yl]ethyl}-(S)-3-cyclohexene-1-carboxamide
CID 97041231
2-{2-[3,5-Dimethyl-4-(prop-2-EN-1-YL)-1H-pyrazol-1-YL]-1,3-thiazol-4-YL}-N-propylacetamide
CID 46269571
N-[(1S*,2R*)-2-(isopropylamino)cyclobutyl]-2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxamide
CID 56909572
2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-[(1R,2S)-2-(propan-2-ylamino)cyclobutyl]-1,3-thiazole-4-carboxamide
CID 133118400
2-acetamido-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1,3-thiazole-4-carboxamide
CID 45827712

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-6-oxo-1H-pyridine-3-carboxamide (CID 71802058) is N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-6-oxo-1H-pyridine-3-carboxamide is Cc1cc(C)n(-c2nc(CCNC(=O)c3ccc(=O)[nH]c3)cs2)n1.
What is the InChIKey of N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is MSAFQIQSAQGNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2S/c1-10-7-11(2)21(20-10)16-19-13(9-24-16)5-6-17-15(23)12-3-4-14(22)18-8-12/h3-4,7-9H,5-6H2,1-2H3,(H,17,23)(H,18,22).
What are the key properties of N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-6-oxo-1H-pyridine-3-carboxamide?
N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 343.41 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 71802058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).