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

C16H17N5O2S — CID 71802059

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

N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 71802059) 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]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID71802059
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]-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(C)n(-c2nc(CCNC(=O)c3ccc[nH]c3=O)cs2)n1
InChIInChI=1S/C16H17N5O2S/c1-10-8-11(2)21(20-10)16-19-12(9-24-16)5-7-18-15(23)13-4-3-6-17-14(13)22/h3-4,6,8-9H,5,7H2,1-2H3,(H,17,22)(H,18,23)
InChIKeyVOZPRKZACUFEEK-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

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CID 71802113
CID 71802113
CID 71802167
CID 71802167
CID 71802171
CID 71802171
CID 97041231
CID 97041231
CID 46269571
CID 46269571
CID 56909572
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CID 133118400
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CID 46265271

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-oxo-1H-pyridine-3-carboxamide (CID 71802059) is N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-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]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-oxo-1H-pyridine-3-carboxamide is Cc1cc(C)n(-c2nc(CCNC(=O)c3ccc[nH]c3=O)cs2)n1.
What is the InChIKey of N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is VOZPRKZACUFEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2S/c1-10-8-11(2)21(20-10)16-19-12(9-24-16)5-7-18-15(23)13-4-3-6-17-14(13)22/h3-4,6,8-9H,5,7H2,1-2H3,(H,17,22)(H,18,23).
What are the key properties of N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-oxo-1H-pyridine-3-carboxamide?
N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-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]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 71802059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).