N-methyl-N-[(1-methyl-3-piperidin-4-ylpyrazol-5-yl)methyl]quinoline-8-carboxamide

C21H25N5O — CID 92624440

IUPACN-methyl-N-[(1-methyl-3-piperidin-4-ylpyrazol-5-yl)methyl]quinoline-8-carboxamide
SMILESCN(Cc1cc(C2CCNCC2)nn1C)C(=O)c1cccc2cccnc12
InChIInChI=1S/C21H25N5O/c1-25(21(27)18-7-3-5-16-6-4-10-23-20(16)18)14-17-13-19(24-26(17)2)15-8-11-22-12-9-15/h3-7,10,13,15,22H,8-9,11-12,14H2,1-2H3
InChIKeyJWEYJRITSGWCFB-UHFFFAOYSA-N
MW363.47 g/mol
LogP2.71
Rot. Bonds4

About N-methyl-N-[(1-methyl-3-piperidin-4-ylpyrazol-5-yl)methyl]quinoline-8-carboxamide

N-methyl-N-[(1-methyl-3-piperidin-4-ylpyrazol-5-yl)methyl]quinoline-8-carboxamide (PubChem CID 92624440) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is N-methyl-N-[(1-methyl-3-piperidin-4-ylpyrazol-5-yl)methyl]quinoline-8-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(1-methyl-3-piperidin-4-ylpyrazol-5-yl)methyl]quinoline-8-carboxamide
PubChem CID92624440
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC NameN-methyl-N-[(1-methyl-3-piperidin-4-ylpyrazol-5-yl)methyl]quinoline-8-carboxamide
SMILESCN(Cc1cc(C2CCNCC2)nn1C)C(=O)c1cccc2cccnc12
InChIInChI=1S/C21H25N5O/c1-25(21(27)18-7-3-5-16-6-4-10-23-20(16)18)14-17-13-19(24-26(17)2)15-8-11-22-12-9-15/h3-7,10,13,15,22H,8-9,11-12,14H2,1-2H3
InChIKeyJWEYJRITSGWCFB-UHFFFAOYSA-N
XLogP2.71
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-N-[(1-methyl-3-piperidin-4-ylpyrazol-5-yl)methyl]quinoline-8-carboxamide with MolForge

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Related Compounds

2-[(4-fluorophenyl)methyl-methylamino]-N-methyl-N-[(1-methyl-3-piperidin-4-ylpyrazol-5-yl)methyl]acetamide
CID 92624506
N-methyl-N-(pyridin-3-ylmethyl)quinoline-8-carboxamide
CID 39948382
(2S)-2-(3,4-dimethylphenoxy)-N-methyl-N-[(1-methyl-3-piperidin-4-ylpyrazol-5-yl)methyl]propanamide
CID 92624497
N-methyl-N-[(4-methylsulfanylphenyl)methyl]quinoline-8-carboxamide
CID 9205470
N-(2-bromoethyl)-N-methylquinoline-8-carboxamide
CID 80659623
N-(3-hydroxybutyl)-N-methylquinoline-8-carboxamide
CID 115673293
N-[[4-(dimethylamino)-6-[(3R)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]pyrimidin-2-yl]methyl]-N-methylquinoline-8-carboxamide
CID 92619250
N,2-dimethyl-N-[[1-methyl-3-[(3S)-piperidin-3-yl]pyrazol-5-yl]methyl]propanamide
CID 92623880
[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]piperidin-1-yl]-[(3R)-piperidin-3-yl]methanone
CID 92624522
N-(2-cyanopropyl)-N-methylquinoline-8-carboxamide
CID 47414728
N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-pyrrolidin-3-ylbenzamide;hydrochloride
CID 154895225
N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylquinoline-8-carboxamide
CID 18119687

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methyl-3-piperidin-4-ylpyrazol-5-yl)methyl]quinoline-8-carboxamide?
The IUPAC name of N-methyl-N-[(1-methyl-3-piperidin-4-ylpyrazol-5-yl)methyl]quinoline-8-carboxamide (CID 92624440) is N-methyl-N-[(1-methyl-3-piperidin-4-ylpyrazol-5-yl)methyl]quinoline-8-carboxamide.
What is the SMILES notation for N-methyl-N-[(1-methyl-3-piperidin-4-ylpyrazol-5-yl)methyl]quinoline-8-carboxamide?
The canonical SMILES for N-methyl-N-[(1-methyl-3-piperidin-4-ylpyrazol-5-yl)methyl]quinoline-8-carboxamide is CN(Cc1cc(C2CCNCC2)nn1C)C(=O)c1cccc2cccnc12.
What is the InChIKey of N-methyl-N-[(1-methyl-3-piperidin-4-ylpyrazol-5-yl)methyl]quinoline-8-carboxamide?
The InChIKey is JWEYJRITSGWCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-25(21(27)18-7-3-5-16-6-4-10-23-20(16)18)14-17-13-19(24-26(17)2)15-8-11-22-12-9-15/h3-7,10,13,15,22H,8-9,11-12,14H2,1-2H3.
What are the key properties of N-methyl-N-[(1-methyl-3-piperidin-4-ylpyrazol-5-yl)methyl]quinoline-8-carboxamide?
N-methyl-N-[(1-methyl-3-piperidin-4-ylpyrazol-5-yl)methyl]quinoline-8-carboxamide has a molecular weight of 363.47 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methyl-3-piperidin-4-ylpyrazol-5-yl)methyl]quinoline-8-carboxamide is sourced from PubChem (CID 92624440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).