4-[1-(5-cyano-6-methoxy-2-pyridinyl)pyrazol-3-yl]-N-cyclopropyl-N-methylbenzamide

C21H19N5O2 — CID 90157411

IUPAC4-[1-(5-cyano-6-methoxy-2-pyridinyl)pyrazol-3-yl]-N-cyclopropyl-N-methylbenzamide
SMILESCOc1nc(-n2ccc(-c3ccc(C(=O)N(C)C4CC4)cc3)n2)ccc1C#N
InChIInChI=1S/C21H19N5O2/c1-25(17-8-9-17)21(27)15-5-3-14(4-6-15)18-11-12-26(24-18)19-10-7-16(13-22)20(23-19)28-2/h3-7,10-12,17H,8-9H2,1-2H3
InChIKeyKOOAWDZTBZPCFE-UHFFFAOYSA-N
MW373.42 g/mol
LogP3.05
Rot. Bonds5

About 4-[1-(5-cyano-6-methoxy-2-pyridinyl)pyrazol-3-yl]-N-cyclopropyl-N-methylbenzamide

4-[1-(5-cyano-6-methoxy-2-pyridinyl)pyrazol-3-yl]-N-cyclopropyl-N-methylbenzamide (PubChem CID 90157411) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is 4-[1-(5-cyano-6-methoxy-2-pyridinyl)pyrazol-3-yl]-N-cyclopropyl-N-methylbenzamide.

Molecular Properties

Compound Name4-[1-(5-cyano-6-methoxy-2-pyridinyl)pyrazol-3-yl]-N-cyclopropyl-N-methylbenzamide
PubChem CID90157411
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC Name4-[1-(5-cyano-6-methoxy-2-pyridinyl)pyrazol-3-yl]-N-cyclopropyl-N-methylbenzamide
SMILESCOc1nc(-n2ccc(-c3ccc(C(=O)N(C)C4CC4)cc3)n2)ccc1C#N
InChIInChI=1S/C21H19N5O2/c1-25(17-8-9-17)21(27)15-5-3-14(4-6-15)18-11-12-26(24-18)19-10-7-16(13-22)20(23-19)28-2/h3-7,10-12,17H,8-9H2,1-2H3
InChIKeyKOOAWDZTBZPCFE-UHFFFAOYSA-N
XLogP3.05
TPSA84.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methoxycyclohexyl)-N-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 75535641
N-cyclohexyl-N-methyl-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
CID 53035078
N-cyclopropyl-4-hydroxy-N-methylbenzamide
CID 43265196
N-cyclopropyl-N-methyl-4-(1,3-oxazol-5-yl)benzamide
CID 47413926
6-(4-fluorophenyl)-2-methoxypyridine-3-carbonitrile
CID 71379576
4-(3-cyano-1H-indol-5-yl)-N-cyclopentyl-N-methylbenzamide
CID 129191371
N-[3,5-bis[methyl-(4-pyridin-2-ylbenzoyl)amino]cyclohexyl]-N-methyl-4-pyridin-2-ylbenzamide
CID 134179299
N-methyl-N-(1-methylpiperidin-4-yl)-4-(2-methyl-4-pyridinyl)benzamide
CID 119058550
N-cyclopentyl-3,5-dimethoxy-N-methylbenzamide
CID 28566540
N-[1-(5-cyano-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]-N,1-dimethylpyrazole-3-carboxamide
CID 172901069
N-cyclohexyl-4-iodo-N-methylbenzamide
CID 30383969
N-cyclooctyl-4-methoxy-N-methyl-3-(tetrazol-1-yl)benzamide
CID 75476338

Frequently Asked Questions

What is the IUPAC name of 4-[1-(5-cyano-6-methoxy-2-pyridinyl)pyrazol-3-yl]-N-cyclopropyl-N-methylbenzamide?
The IUPAC name of 4-[1-(5-cyano-6-methoxy-2-pyridinyl)pyrazol-3-yl]-N-cyclopropyl-N-methylbenzamide (CID 90157411) is 4-[1-(5-cyano-6-methoxy-2-pyridinyl)pyrazol-3-yl]-N-cyclopropyl-N-methylbenzamide.
What is the SMILES notation for 4-[1-(5-cyano-6-methoxy-2-pyridinyl)pyrazol-3-yl]-N-cyclopropyl-N-methylbenzamide?
The canonical SMILES for 4-[1-(5-cyano-6-methoxy-2-pyridinyl)pyrazol-3-yl]-N-cyclopropyl-N-methylbenzamide is COc1nc(-n2ccc(-c3ccc(C(=O)N(C)C4CC4)cc3)n2)ccc1C#N.
What is the InChIKey of 4-[1-(5-cyano-6-methoxy-2-pyridinyl)pyrazol-3-yl]-N-cyclopropyl-N-methylbenzamide?
The InChIKey is KOOAWDZTBZPCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-25(17-8-9-17)21(27)15-5-3-14(4-6-15)18-11-12-26(24-18)19-10-7-16(13-22)20(23-19)28-2/h3-7,10-12,17H,8-9H2,1-2H3.
What are the key properties of 4-[1-(5-cyano-6-methoxy-2-pyridinyl)pyrazol-3-yl]-N-cyclopropyl-N-methylbenzamide?
4-[1-(5-cyano-6-methoxy-2-pyridinyl)pyrazol-3-yl]-N-cyclopropyl-N-methylbenzamide has a molecular weight of 373.42 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(5-cyano-6-methoxy-2-pyridinyl)pyrazol-3-yl]-N-cyclopropyl-N-methylbenzamide is sourced from PubChem (CID 90157411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).