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

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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).