5-(5-cyano-2-pyridinyl)-N-methyl-N-(2-methylpropyl)-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxamide

C21H22N6O — CID 71168109

IUPAC5-(5-cyano-2-pyridinyl)-N-methyl-N-(2-methylpropyl)-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxamide
SMILESCc1ccc(-n2nc(C(=O)N(C)CC(C)C)cc2-c2ccc(C#N)cn2)cn1
InChIInChI=1S/C21H22N6O/c1-14(2)13-26(4)21(28)19-9-20(18-8-6-16(10-22)11-24-18)27(25-19)17-7-5-15(3)23-12-17/h5-9,11-12,14H,13H2,1-4H3
InChIKeyOUEWNUXMLNSCDX-UHFFFAOYSA-N
MW374.45 g/mol
LogP3.24
Rot. Bonds5

About 5-(5-cyano-2-pyridinyl)-N-methyl-N-(2-methylpropyl)-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxamide

5-(5-cyano-2-pyridinyl)-N-methyl-N-(2-methylpropyl)-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxamide (PubChem CID 71168109) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is 5-(5-cyano-2-pyridinyl)-N-methyl-N-(2-methylpropyl)-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(5-cyano-2-pyridinyl)-N-methyl-N-(2-methylpropyl)-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxamide
PubChem CID71168109
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name5-(5-cyano-2-pyridinyl)-N-methyl-N-(2-methylpropyl)-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxamide
SMILESCc1ccc(-n2nc(C(=O)N(C)CC(C)C)cc2-c2ccc(C#N)cn2)cn1
InChIInChI=1S/C21H22N6O/c1-14(2)13-26(4)21(28)19-9-20(18-8-6-16(10-22)11-24-18)27(25-19)17-7-5-15(3)23-12-17/h5-9,11-12,14H,13H2,1-4H3
InChIKeyOUEWNUXMLNSCDX-UHFFFAOYSA-N
XLogP3.24
TPSA87.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-(5-cyano-2-pyridinyl)-N-methyl-N-(2-methylpropyl)-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxamide with MolForge

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Related Compounds

5-(5-cyano-2-pyridinyl)-N-ethyl-N-methyl-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxamide
CID 23143800
5-[5-(aminomethyl)-2-pyridinyl]-N-ethyl-N-methyl-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxamide
CID 23143450
6-[2-(6-methyl-3-pyridinyl)pyrazol-3-yl]pyridine-3-carbonitrile
CID 141133529
N-ethyl-5-(5-hydroxy-2-pyridinyl)-1-(6-methoxy-3-pyridinyl)-N-methylpyrazole-3-carboxamide
CID 135697947
5-(4-methyl-2-pyridinyl)-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxylic acid
CID 59003597
5-cyano-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyridine-2-carboxamide
CID 103722252
ethyl 5-(3,4-dimethylphenyl)-1-[4-[methyl(2-methylpropyl)carbamoyl]phenyl]pyrazole-3-carboxylate
CID 46090711
5-cyano-N-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-2-carboxamide
CID 86783276
6-methylpyridine-3-carbonitrile;propane
CID 142590874
N-[[6-[3-[ethyl(methyl)carbamoyl]-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]-3-pyridinyl]methyl]-4-methylpiperazine-1-carboxamide
CID 23143409
N-(2-amino-2-oxoethyl)-5-cyano-N-(2-methylpropyl)pyridine-2-carboxamide
CID 63716939
N-[3-(methanesulfonamido)propyl]-1-(6-methyl-3-pyridinyl)-5-pyridin-2-ylpyrazole-3-carboxamide
CID 71193150

Frequently Asked Questions

What is the IUPAC name of 5-(5-cyano-2-pyridinyl)-N-methyl-N-(2-methylpropyl)-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxamide?
The IUPAC name of 5-(5-cyano-2-pyridinyl)-N-methyl-N-(2-methylpropyl)-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxamide (CID 71168109) is 5-(5-cyano-2-pyridinyl)-N-methyl-N-(2-methylpropyl)-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxamide.
What is the SMILES notation for 5-(5-cyano-2-pyridinyl)-N-methyl-N-(2-methylpropyl)-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxamide?
The canonical SMILES for 5-(5-cyano-2-pyridinyl)-N-methyl-N-(2-methylpropyl)-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxamide is Cc1ccc(-n2nc(C(=O)N(C)CC(C)C)cc2-c2ccc(C#N)cn2)cn1.
What is the InChIKey of 5-(5-cyano-2-pyridinyl)-N-methyl-N-(2-methylpropyl)-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxamide?
The InChIKey is OUEWNUXMLNSCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O/c1-14(2)13-26(4)21(28)19-9-20(18-8-6-16(10-22)11-24-18)27(25-19)17-7-5-15(3)23-12-17/h5-9,11-12,14H,13H2,1-4H3.
What are the key properties of 5-(5-cyano-2-pyridinyl)-N-methyl-N-(2-methylpropyl)-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxamide?
5-(5-cyano-2-pyridinyl)-N-methyl-N-(2-methylpropyl)-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxamide has a molecular weight of 374.45 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-cyano-2-pyridinyl)-N-methyl-N-(2-methylpropyl)-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxamide is sourced from PubChem (CID 71168109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).