N-(2,5-dimethylphenyl)-3-(imidazo[4,5-b]pyridin-3-ylmethyl)piperidine-1-carboxamide

C21H25N5O — CID 91904171

IUPACN-(2,5-dimethylphenyl)-3-(imidazo[4,5-b]pyridin-3-ylmethyl)piperidine-1-carboxamide
SMILESCc1ccc(C)c(NC(=O)N2CCCC(Cn3cnc4cccnc43)C2)c1
InChIInChI=1S/C21H25N5O/c1-15-7-8-16(2)19(11-15)24-21(27)25-10-4-5-17(12-25)13-26-14-23-18-6-3-9-22-20(18)26/h3,6-9,11,14,17H,4-5,10,12-13H2,1-2H3,(H,24,27)
InChIKeyQPTRJFSHDOPOCF-UHFFFAOYSA-N
MW363.47 g/mol
LogP3.99
Rot. Bonds3

About N-(2,5-dimethylphenyl)-3-(imidazo[4,5-b]pyridin-3-ylmethyl)piperidine-1-carboxamide

N-(2,5-dimethylphenyl)-3-(imidazo[4,5-b]pyridin-3-ylmethyl)piperidine-1-carboxamide (PubChem CID 91904171) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-3-(imidazo[4,5-b]pyridin-3-ylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-3-(imidazo[4,5-b]pyridin-3-ylmethyl)piperidine-1-carboxamide
PubChem CID91904171
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC NameN-(2,5-dimethylphenyl)-3-(imidazo[4,5-b]pyridin-3-ylmethyl)piperidine-1-carboxamide
SMILESCc1ccc(C)c(NC(=O)N2CCCC(Cn3cnc4cccnc43)C2)c1
InChIInChI=1S/C21H25N5O/c1-15-7-8-16(2)19(11-15)24-21(27)25-10-4-5-17(12-25)13-26-14-23-18-6-3-9-22-20(18)26/h3,6-9,11,14,17H,4-5,10,12-13H2,1-2H3,(H,24,27)
InChIKeyQPTRJFSHDOPOCF-UHFFFAOYSA-N
XLogP3.99
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-(5-chloro-2-methoxyphenyl)-3-(imidazo[4,5-b]pyridin-3-ylmethyl)piperidine-1-carboxamide
CID 99747517
N-(2,5-dimethylphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 84528566
N-(5-chloro-2-methylphenyl)-4-imidazo[4,5-b]pyridin-3-ylpiperidine-1-carboxamide
CID 46286530
N-(2,5-dimethylphenyl)-4-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxamide
CID 46286603
3-(benzimidazol-1-ylmethyl)-N-ethylpiperidine-1-carboxamide
CID 126827644
(3R)-3-(2-amino-2-oxoethyl)-N-(6-methylquinolin-8-yl)piperidine-1-carboxamide
CID 99584331
3-[[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]pyridine-2-carboxylic acid
CID 107228275
N-(3-ethylphenyl)-3-[(2-methylimidazo[4,5-b]pyridin-3-yl)methyl]piperidine-1-carboxamide
CID 110875601
2-[1-[(2,4-dimethylphenyl)carbamoyl]piperidin-3-yl]acetic acid
CID 62690811
N-(3-methoxyphenyl)-3-[(2-methylimidazo[4,5-b]pyridin-3-yl)methyl]piperidine-1-carboxamide
CID 91904220
(4aS,8aR)-N-(2,5-dimethylphenyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxamide
CID 51943981
N-[4-(dimethylcarbamoyl)-2-methylphenyl]-3-(imidazol-1-ylmethyl)piperidine-1-carboxamide
CID 118773528

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-3-(imidazo[4,5-b]pyridin-3-ylmethyl)piperidine-1-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-3-(imidazo[4,5-b]pyridin-3-ylmethyl)piperidine-1-carboxamide (CID 91904171) is N-(2,5-dimethylphenyl)-3-(imidazo[4,5-b]pyridin-3-ylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-3-(imidazo[4,5-b]pyridin-3-ylmethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-3-(imidazo[4,5-b]pyridin-3-ylmethyl)piperidine-1-carboxamide is Cc1ccc(C)c(NC(=O)N2CCCC(Cn3cnc4cccnc43)C2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-3-(imidazo[4,5-b]pyridin-3-ylmethyl)piperidine-1-carboxamide?
The InChIKey is QPTRJFSHDOPOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-15-7-8-16(2)19(11-15)24-21(27)25-10-4-5-17(12-25)13-26-14-23-18-6-3-9-22-20(18)26/h3,6-9,11,14,17H,4-5,10,12-13H2,1-2H3,(H,24,27).
What are the key properties of N-(2,5-dimethylphenyl)-3-(imidazo[4,5-b]pyridin-3-ylmethyl)piperidine-1-carboxamide?
N-(2,5-dimethylphenyl)-3-(imidazo[4,5-b]pyridin-3-ylmethyl)piperidine-1-carboxamide has a molecular weight of 363.47 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-3-(imidazo[4,5-b]pyridin-3-ylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 91904171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).