2-methyl-N-[1-(3-methylquinoxalin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide

C19H22N6O — CID 172903205

IUPAC2-methyl-N-[1-(3-methylquinoxalin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide
SMILESCc1nc2ccccc2nc1N1CCC(NC(=O)c2ccnn2C)CC1
InChIInChI=1S/C19H22N6O/c1-13-18(23-16-6-4-3-5-15(16)21-13)25-11-8-14(9-12-25)22-19(26)17-7-10-20-24(17)2/h3-7,10,14H,8-9,11-12H2,1-2H3,(H,22,26)
InChIKeyNSSBZUDITRSMOB-UHFFFAOYSA-N
MW350.43 g/mol
LogP2.07
Rot. Bonds3

About 2-methyl-N-[1-(3-methylquinoxalin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide

2-methyl-N-[1-(3-methylquinoxalin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide (PubChem CID 172903205) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 2-methyl-N-[1-(3-methylquinoxalin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[1-(3-methylquinoxalin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide
PubChem CID172903205
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name2-methyl-N-[1-(3-methylquinoxalin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide
SMILESCc1nc2ccccc2nc1N1CCC(NC(=O)c2ccnn2C)CC1
InChIInChI=1S/C19H22N6O/c1-13-18(23-16-6-4-3-5-15(16)21-13)25-11-8-14(9-12-25)22-19(26)17-7-10-20-24(17)2/h3-7,10,14H,8-9,11-12H2,1-2H3,(H,22,26)
InChIKeyNSSBZUDITRSMOB-UHFFFAOYSA-N
XLogP2.07
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide
CID 172892019
2-methyl-N-[1-(6-methylpyrazin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide
CID 172891004
2-methyl-N-(1-pyrido[3,4-d]pyrimidin-4-ylpiperidin-4-yl)pyrazole-3-carboxamide
CID 172892260
2-methyl-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]pyrazole-3-carboxamide
CID 124573399
4-[(2-methylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 54921251
2-methyl-N-[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]pyrazole-3-carboxamide
CID 172892022
2-methyl-N-(4-oxocyclohexyl)pyrazole-3-carboxamide
CID 62920465
N-[1-(5-cyano-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]-2-methylpyrazole-3-carboxamide
CID 172891499
tert-butyl N-[1-(3-methylquinoxalin-2-yl)pyrrolidin-3-yl]carbamate
CID 133293160
N-[1-(5,6-dimethylpyrimidin-4-yl)piperidin-3-yl]-2-methylpyrazole-3-carboxamide
CID 172891341
2-methyl-N-[(3R)-1-(6-methyl-2-pyridinyl)piperidin-3-yl]pyrazole-3-carboxamide
CID 125023608
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylpyrazole-3-carboxamide
CID 47084312

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(3-methylquinoxalin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide?
The IUPAC name of 2-methyl-N-[1-(3-methylquinoxalin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide (CID 172903205) is 2-methyl-N-[1-(3-methylquinoxalin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[1-(3-methylquinoxalin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide?
The canonical SMILES for 2-methyl-N-[1-(3-methylquinoxalin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide is Cc1nc2ccccc2nc1N1CCC(NC(=O)c2ccnn2C)CC1.
What is the InChIKey of 2-methyl-N-[1-(3-methylquinoxalin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide?
The InChIKey is NSSBZUDITRSMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-13-18(23-16-6-4-3-5-15(16)21-13)25-11-8-14(9-12-25)22-19(26)17-7-10-20-24(17)2/h3-7,10,14H,8-9,11-12H2,1-2H3,(H,22,26).
What are the key properties of 2-methyl-N-[1-(3-methylquinoxalin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide?
2-methyl-N-[1-(3-methylquinoxalin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide has a molecular weight of 350.43 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(3-methylquinoxalin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 172903205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).