N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]-N-methyl-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide

C25H33N5O2 — CID 176500918

IUPACN-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]-N-methyl-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide
SMILESCOCCN1CCCC(CN(C)C(=O)c2cnc3c(c2)ncn3CCc2ccccc2)C1
InChIInChI=1S/C25H33N5O2/c1-28(17-21-9-6-11-29(18-21)13-14-32-2)25(31)22-15-23-24(26-16-22)30(19-27-23)12-10-20-7-4-3-5-8-20/h3-5,7-8,15-16,19,21H,6,9-14,17-18H2,1-2H3
InChIKeyQYMGKLJJXHGDDE-UHFFFAOYSA-N
MW435.57 g/mol
LogP3.10
Rot. Bonds9

About N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]-N-methyl-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide

N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]-N-methyl-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 176500918) has the molecular formula C25H33N5O2 and a molecular weight of 435.57 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]-N-methyl-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]-N-methyl-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide
PubChem CID176500918
Molecular FormulaC25H33N5O2
Molecular Weight435.57 g/mol
Exact Mass435.26
IUPAC NameN-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]-N-methyl-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide
SMILESCOCCN1CCCC(CN(C)C(=O)c2cnc3c(c2)ncn3CCc2ccccc2)C1
InChIInChI=1S/C25H33N5O2/c1-28(17-21-9-6-11-29(18-21)13-14-32-2)25(31)22-15-23-24(26-16-22)30(19-27-23)12-10-20-7-4-3-5-8-20/h3-5,7-8,15-16,19,21H,6,9-14,17-18H2,1-2H3
InChIKeyQYMGKLJJXHGDDE-UHFFFAOYSA-N
XLogP3.10
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-benzyl-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 176504166
N-[(3aS,6aR)-5-hydroxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-methyl-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176500082
N-(oxan-3-ylmethyl)-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176504304
N-[(1R,3R)-3-(hydroxymethyl)cyclohexyl]-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176500416
N-methyl-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]benzamide
CID 45210227
N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N,6-dimethylpyridine-3-carboxamide
CID 45240100
N-(azepan-4-yl)-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176505475
N-(oxolan-3-yl)-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 175641497
[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[3-(2-phenylethyl)imidazo[4,5-b]pyridin-6-yl]methanone
CID 176504399
3-[[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl-methylcarbamoyl]amino]benzamide
CID 97435997
N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-2-methylpyrimidine-5-carboxamide
CID 72889277
methyl 2-[[(3S)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl-methylcarbamoyl]benzoate
CID 25369950

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]-N-methyl-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]-N-methyl-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide (CID 176500918) is N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]-N-methyl-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]-N-methyl-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]-N-methyl-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide is COCCN1CCCC(CN(C)C(=O)c2cnc3c(c2)ncn3CCc2ccccc2)C1.
What is the InChIKey of N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]-N-methyl-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is QYMGKLJJXHGDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O2/c1-28(17-21-9-6-11-29(18-21)13-14-32-2)25(31)22-15-23-24(26-16-22)30(19-27-23)12-10-20-7-4-3-5-8-20/h3-5,7-8,15-16,19,21H,6,9-14,17-18H2,1-2H3.
What are the key properties of N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]-N-methyl-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide?
N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]-N-methyl-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 435.57 g/mol, XLogP of 3.10, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]-N-methyl-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 176500918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).