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

C21H24N4O3 — CID 176506792

IUPACN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide
SMILESCC1(C)OCC(CNC(=O)c2cnc3c(c2)ncn3CCc2ccccc2)O1
InChIInChI=1S/C21H24N4O3/c1-21(2)27-13-17(28-21)12-23-20(26)16-10-18-19(22-11-16)25(14-24-18)9-8-15-6-4-3-5-7-15/h3-7,10-11,14,17H,8-9,12-13H2,1-2H3,(H,23,26)
InChIKeyQWKMZRPJKGSXPV-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.56
Rot. Bonds6

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

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 176506792) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide
PubChem CID176506792
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide
SMILESCC1(C)OCC(CNC(=O)c2cnc3c(c2)ncn3CCc2ccccc2)O1
InChIInChI=1S/C21H24N4O3/c1-21(2)27-13-17(28-21)12-23-20(26)16-10-18-19(22-11-16)25(14-24-18)9-8-15-6-4-3-5-7-15/h3-7,10-11,14,17H,8-9,12-13H2,1-2H3,(H,23,26)
InChIKeyQWKMZRPJKGSXPV-UHFFFAOYSA-N
XLogP2.56
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(oxan-3-ylmethyl)-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176504304
N-(oxolan-3-yl)-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 175641497
6-bromo-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyridine-3-carboxamide
CID 103800512
N-(azepan-4-yl)-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176505475
N-[(1R,3R)-3-(hydroxymethyl)cyclohexyl]-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176500416
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-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-(methylamino)benzamide
CID 107390214
4-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]benzamide
CID 103762524
2-methyl-8-[3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carbonyl]-2,8-diazaspiro[4.5]decan-3-one
CID 176503516
9-methyl-2-[3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carbonyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one
CID 176504094
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylcarbamoyl]benzamide
CID 3669993
3-benzyl-N-(3-hydroxycyclobutyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176506320

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide (CID 176506792) is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide is CC1(C)OCC(CNC(=O)c2cnc3c(c2)ncn3CCc2ccccc2)O1.
What is the InChIKey of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is QWKMZRPJKGSXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-21(2)27-13-17(28-21)12-23-20(26)16-10-18-19(22-11-16)25(14-24-18)9-8-15-6-4-3-5-7-15/h3-7,10-11,14,17H,8-9,12-13H2,1-2H3,(H,23,26).
What are the key properties of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide?
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 176506792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).