N-(3-ethylphenyl)-3-[(2-methylimidazo[4,5-b]pyridin-3-yl)methyl]piperidine-1-carboxamide

C22H27N5O — CID 110875601

IUPACN-(3-ethylphenyl)-3-[(2-methylimidazo[4,5-b]pyridin-3-yl)methyl]piperidine-1-carboxamide
SMILESCCc1cccc(NC(=O)N2CCCC(Cn3c(C)nc4cccnc43)C2)c1
InChIInChI=1S/C22H27N5O/c1-3-17-7-4-9-19(13-17)25-22(28)26-12-6-8-18(14-26)15-27-16(2)24-20-10-5-11-23-21(20)27/h4-5,7,9-11,13,18H,3,6,8,12,14-15H2,1-2H3,(H,25,28)
InChIKeyQFYRWFQVYUSLSN-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.25
Rot. Bonds4

About N-(3-ethylphenyl)-3-[(2-methylimidazo[4,5-b]pyridin-3-yl)methyl]piperidine-1-carboxamide

N-(3-ethylphenyl)-3-[(2-methylimidazo[4,5-b]pyridin-3-yl)methyl]piperidine-1-carboxamide (PubChem CID 110875601) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is N-(3-ethylphenyl)-3-[(2-methylimidazo[4,5-b]pyridin-3-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-3-[(2-methylimidazo[4,5-b]pyridin-3-yl)methyl]piperidine-1-carboxamide
PubChem CID110875601
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC NameN-(3-ethylphenyl)-3-[(2-methylimidazo[4,5-b]pyridin-3-yl)methyl]piperidine-1-carboxamide
SMILESCCc1cccc(NC(=O)N2CCCC(Cn3c(C)nc4cccnc43)C2)c1
InChIInChI=1S/C22H27N5O/c1-3-17-7-4-9-19(13-17)25-22(28)26-12-6-8-18(14-26)15-27-16(2)24-20-10-5-11-23-21(20)27/h4-5,7,9-11,13,18H,3,6,8,12,14-15H2,1-2H3,(H,25,28)
InChIKeyQFYRWFQVYUSLSN-UHFFFAOYSA-N
XLogP4.25
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxyphenyl)-3-[(2-methylimidazo[4,5-b]pyridin-3-yl)methyl]piperidine-1-carboxamide
CID 91904220
N-(3-ethylphenyl)-3-hydroxypiperidine-1-carboxamide
CID 47032364
(3R)-3-[(butanoylamino)methyl]-N-(3-ethylphenyl)piperidine-1-carboxamide
CID 95297467
[1-(4-methoxyphenyl)cyclohexyl]-[3-[(2-methylimidazo[4,5-b]pyridin-3-yl)methyl]piperidin-1-yl]methanone
CID 91904137
ethyl (3S)-1-[(3-ethylphenyl)carbamoyl]piperidine-3-carboxylate
CID 51664598
3-[[1-(benzenesulfonyl)piperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine
CID 91904206
2-[3-[(3-ethylpiperidine-1-carbonyl)amino]phenyl]acetic acid
CID 65345636
3-(3-ethylimidazo[4,5-b]pyridin-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 53191248
3-[[1-(3,5-difluorophenyl)sulfonylpiperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine
CID 91904216
N-(2,5-dimethylphenyl)-3-(imidazo[4,5-b]pyridin-3-ylmethyl)piperidine-1-carboxamide
CID 91904171
3-[[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine
CID 91913762
3-[[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine
CID 91904230

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-3-[(2-methylimidazo[4,5-b]pyridin-3-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of N-(3-ethylphenyl)-3-[(2-methylimidazo[4,5-b]pyridin-3-yl)methyl]piperidine-1-carboxamide (CID 110875601) is N-(3-ethylphenyl)-3-[(2-methylimidazo[4,5-b]pyridin-3-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(3-ethylphenyl)-3-[(2-methylimidazo[4,5-b]pyridin-3-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for N-(3-ethylphenyl)-3-[(2-methylimidazo[4,5-b]pyridin-3-yl)methyl]piperidine-1-carboxamide is CCc1cccc(NC(=O)N2CCCC(Cn3c(C)nc4cccnc43)C2)c1.
What is the InChIKey of N-(3-ethylphenyl)-3-[(2-methylimidazo[4,5-b]pyridin-3-yl)methyl]piperidine-1-carboxamide?
The InChIKey is QFYRWFQVYUSLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-3-17-7-4-9-19(13-17)25-22(28)26-12-6-8-18(14-26)15-27-16(2)24-20-10-5-11-23-21(20)27/h4-5,7,9-11,13,18H,3,6,8,12,14-15H2,1-2H3,(H,25,28).
What are the key properties of N-(3-ethylphenyl)-3-[(2-methylimidazo[4,5-b]pyridin-3-yl)methyl]piperidine-1-carboxamide?
N-(3-ethylphenyl)-3-[(2-methylimidazo[4,5-b]pyridin-3-yl)methyl]piperidine-1-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-3-[(2-methylimidazo[4,5-b]pyridin-3-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 110875601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).