4-[2-(methoxymethyl)imidazo[4,5-b]pyridin-3-yl]-N-(3-methylphenyl)piperidine-1-carboxamide

C21H25N5O2 — CID 46286666

IUPAC4-[2-(methoxymethyl)imidazo[4,5-b]pyridin-3-yl]-N-(3-methylphenyl)piperidine-1-carboxamide
SMILESCOCc1nc2cccnc2n1C1CCN(C(=O)Nc2cccc(C)c2)CC1
InChIInChI=1S/C21H25N5O2/c1-15-5-3-6-16(13-15)23-21(27)25-11-8-17(9-12-25)26-19(14-28-2)24-18-7-4-10-22-20(18)26/h3-7,10,13,17H,8-9,11-12,14H2,1-2H3,(H,23,27)
InChIKeyQQUSEWREVDNMSD-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.76
Rot. Bonds4

About 4-[2-(methoxymethyl)imidazo[4,5-b]pyridin-3-yl]-N-(3-methylphenyl)piperidine-1-carboxamide

4-[2-(methoxymethyl)imidazo[4,5-b]pyridin-3-yl]-N-(3-methylphenyl)piperidine-1-carboxamide (PubChem CID 46286666) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 4-[2-(methoxymethyl)imidazo[4,5-b]pyridin-3-yl]-N-(3-methylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(methoxymethyl)imidazo[4,5-b]pyridin-3-yl]-N-(3-methylphenyl)piperidine-1-carboxamide
PubChem CID46286666
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name4-[2-(methoxymethyl)imidazo[4,5-b]pyridin-3-yl]-N-(3-methylphenyl)piperidine-1-carboxamide
SMILESCOCc1nc2cccnc2n1C1CCN(C(=O)Nc2cccc(C)c2)CC1
InChIInChI=1S/C21H25N5O2/c1-15-5-3-6-16(13-15)23-21(27)25-11-8-17(9-12-25)26-19(14-28-2)24-18-7-4-10-22-20(18)26/h3-7,10,13,17H,8-9,11-12,14H2,1-2H3,(H,23,27)
InChIKeyQQUSEWREVDNMSD-UHFFFAOYSA-N
XLogP3.76
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethoxyphenyl)-4-[2-(methoxymethyl)imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxamide
CID 46286663
N-(2,4-dimethylphenyl)-4-[2-(2-methylpropyl)imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxamide
CID 46286729
N-(1,3-benzodioxol-5-yl)-4-(2-methylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxamide
CID 46286582
ethyl 4-[[(3R)-3-(2-ethylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carbonyl]amino]benzoate
CID 95108453
N-(3,5-dimethoxyphenyl)-4-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxamide
CID 46286626
N-(2,3-dihydro-1H-inden-5-yl)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carboxamide
CID 53186899
N-phenyl-4-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxamide
CID 46286596
N-(4-bromophenyl)-4-(2-phenylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxamide
CID 44522159
4-(2-methylimidazo[4,5-b]pyridin-3-yl)-N-(2-methylphenyl)piperidine-1-carboxamide
CID 46286561
N-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide
CID 87050875
N-(2,5-dimethylphenyl)-4-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxamide
CID 46286603
N-(2,4-difluorophenyl)-4-[2-(2-methylpropyl)imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxamide
CID 46286744

Frequently Asked Questions

What is the IUPAC name of 4-[2-(methoxymethyl)imidazo[4,5-b]pyridin-3-yl]-N-(3-methylphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-[2-(methoxymethyl)imidazo[4,5-b]pyridin-3-yl]-N-(3-methylphenyl)piperidine-1-carboxamide (CID 46286666) is 4-[2-(methoxymethyl)imidazo[4,5-b]pyridin-3-yl]-N-(3-methylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[2-(methoxymethyl)imidazo[4,5-b]pyridin-3-yl]-N-(3-methylphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[2-(methoxymethyl)imidazo[4,5-b]pyridin-3-yl]-N-(3-methylphenyl)piperidine-1-carboxamide is COCc1nc2cccnc2n1C1CCN(C(=O)Nc2cccc(C)c2)CC1.
What is the InChIKey of 4-[2-(methoxymethyl)imidazo[4,5-b]pyridin-3-yl]-N-(3-methylphenyl)piperidine-1-carboxamide?
The InChIKey is QQUSEWREVDNMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-15-5-3-6-16(13-15)23-21(27)25-11-8-17(9-12-25)26-19(14-28-2)24-18-7-4-10-22-20(18)26/h3-7,10,13,17H,8-9,11-12,14H2,1-2H3,(H,23,27).
What are the key properties of 4-[2-(methoxymethyl)imidazo[4,5-b]pyridin-3-yl]-N-(3-methylphenyl)piperidine-1-carboxamide?
4-[2-(methoxymethyl)imidazo[4,5-b]pyridin-3-yl]-N-(3-methylphenyl)piperidine-1-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(methoxymethyl)imidazo[4,5-b]pyridin-3-yl]-N-(3-methylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 46286666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).