6-(3,5-dimethylpyrazol-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpyridine-3-carboxamide

C23H21N5OS — CID 43069032

IUPAC6-(3,5-dimethylpyrazol-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCN(C(=O)c1ccc(-n2nc(C)cc2C)nc1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C23H21N5OS/c1-4-12-27(23-25-20(15-30-23)18-8-6-5-7-9-18)22(29)19-10-11-21(24-14-19)28-17(3)13-16(2)26-28/h4-11,13-15H,1,12H2,2-3H3
InChIKeyWHBLOVPHIIELRW-UHFFFAOYSA-N
MW415.52 g/mol
LogP4.84
Rot. Bonds6

About 6-(3,5-dimethylpyrazol-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpyridine-3-carboxamide

6-(3,5-dimethylpyrazol-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpyridine-3-carboxamide (PubChem CID 43069032) has the molecular formula C23H21N5OS and a molecular weight of 415.52 g/mol. Its IUPAC name is 6-(3,5-dimethylpyrazol-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3,5-dimethylpyrazol-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpyridine-3-carboxamide
PubChem CID43069032
Molecular FormulaC23H21N5OS
Molecular Weight415.52 g/mol
Exact Mass415.15
IUPAC Name6-(3,5-dimethylpyrazol-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCN(C(=O)c1ccc(-n2nc(C)cc2C)nc1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C23H21N5OS/c1-4-12-27(23-25-20(15-30-23)18-8-6-5-7-9-18)22(29)19-10-11-21(24-14-19)28-17(3)13-16(2)26-28/h4-11,13-15H,1,12H2,2-3H3
InChIKeyWHBLOVPHIIELRW-UHFFFAOYSA-N
XLogP4.84
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide
CID 2675971
6-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpyridine-3-carboxamide
CID 134016011
N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide
CID 2675968
5,7-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 26212452
3,5-difluoro-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide
CID 8840086
4-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide
CID 24591343
3-benzamido-4-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide
CID 55630363
methyl N-[4-[(4-phenyl-1,3-thiazol-2-yl)-prop-2-enylcarbamoyl]phenyl]carbamate
CID 39992831
4-(2,5-dioxopyrrolidin-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide
CID 29441723
3-phenoxy-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide
CID 3298434
4,5-dichloro-1-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpyrrole-2-carboxamide
CID 55600754
methyl 3-nitro-5-[(4-phenyl-1,3-thiazol-2-yl)-prop-2-enylcarbamoyl]benzoate
CID 26212430

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpyridine-3-carboxamide?
The IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpyridine-3-carboxamide (CID 43069032) is 6-(3,5-dimethylpyrazol-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpyridine-3-carboxamide.
What is the SMILES notation for 6-(3,5-dimethylpyrazol-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpyridine-3-carboxamide?
The canonical SMILES for 6-(3,5-dimethylpyrazol-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpyridine-3-carboxamide is C=CCN(C(=O)c1ccc(-n2nc(C)cc2C)nc1)c1nc(-c2ccccc2)cs1.
What is the InChIKey of 6-(3,5-dimethylpyrazol-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpyridine-3-carboxamide?
The InChIKey is WHBLOVPHIIELRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5OS/c1-4-12-27(23-25-20(15-30-23)18-8-6-5-7-9-18)22(29)19-10-11-21(24-14-19)28-17(3)13-16(2)26-28/h4-11,13-15H,1,12H2,2-3H3.
What are the key properties of 6-(3,5-dimethylpyrazol-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpyridine-3-carboxamide?
6-(3,5-dimethylpyrazol-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpyridine-3-carboxamide has a molecular weight of 415.52 g/mol, XLogP of 4.84, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpyrazol-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylpyridine-3-carboxamide is sourced from PubChem (CID 43069032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).