2-[(2-chlorophenyl)methylamino]-1-(2-hydroxy-3-phenoxypropyl)imidazo[4,5-b]pyridine-5-carboxamide

C23H22ClN5O3 — CID 46879619

IUPAC2-[(2-chlorophenyl)methylamino]-1-(2-hydroxy-3-phenoxypropyl)imidazo[4,5-b]pyridine-5-carboxamide
SMILESNC(=O)c1ccc2c(n1)nc(NCc1ccccc1Cl)n2CC(O)COc1ccccc1
InChIInChI=1S/C23H22ClN5O3/c24-18-9-5-4-6-15(18)12-26-23-28-22-20(11-10-19(27-22)21(25)31)29(23)13-16(30)14-32-17-7-2-1-3-8-17/h1-11,16,30H,12-14H2,(H2,25,31)(H,26,27,28)
InChIKeyAEXCNVYCEWQTBH-UHFFFAOYSA-N
MW451.91 g/mol
LogP3.24
Rot. Bonds9

About 2-[(2-chlorophenyl)methylamino]-1-(2-hydroxy-3-phenoxypropyl)imidazo[4,5-b]pyridine-5-carboxamide

2-[(2-chlorophenyl)methylamino]-1-(2-hydroxy-3-phenoxypropyl)imidazo[4,5-b]pyridine-5-carboxamide (PubChem CID 46879619) has the molecular formula C23H22ClN5O3 and a molecular weight of 451.91 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylamino]-1-(2-hydroxy-3-phenoxypropyl)imidazo[4,5-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylamino]-1-(2-hydroxy-3-phenoxypropyl)imidazo[4,5-b]pyridine-5-carboxamide
PubChem CID46879619
Molecular FormulaC23H22ClN5O3
Molecular Weight451.91 g/mol
Exact Mass451.14
IUPAC Name2-[(2-chlorophenyl)methylamino]-1-(2-hydroxy-3-phenoxypropyl)imidazo[4,5-b]pyridine-5-carboxamide
SMILESNC(=O)c1ccc2c(n1)nc(NCc1ccccc1Cl)n2CC(O)COc1ccccc1
InChIInChI=1S/C23H22ClN5O3/c24-18-9-5-4-6-15(18)12-26-23-28-22-20(11-10-19(27-22)21(25)31)29(23)13-16(30)14-32-17-7-2-1-3-8-17/h1-11,16,30H,12-14H2,(H2,25,31)(H,26,27,28)
InChIKeyAEXCNVYCEWQTBH-UHFFFAOYSA-N
XLogP3.24
TPSA115.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.91
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-(4-chlorophenoxy)phenyl)-1H-imidazo[4,5-b]pyridine-5-carboxamide
CID 10292251
2-chloro-N-{1-[2-(2-methoxyphenoxy)ethyl]-1H-benzimidazol-2-yl}benzamide
CID 15991484
2-[(2-Chlorophenyl)methylamino]-1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)imidazo[4,5-b]pyridine-5-carboxamide
CID 46879618
2-[(2-chlorophenyl)methylamino]-1-[(2S)-2-hydroxypropyl]imidazo[4,5-b]pyridine-5-carboxamide
CID 46879659
2-[(2-Chlorophenyl)methylamino]-1-[(2-methoxyphenyl)methyl]imidazo[4,5-b]pyridine-5-carboxamide
CID 46879617
2-[(2-Chlorophenyl)methylamino]-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)imidazo[4,5-b]pyridine-5-carboxamide
CID 46879620
(2-Chloro-phenyl)-[4-(2-ethyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-ylmethyl)-phenoxy]-acetic acid
CID 15287894
N-({1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl}methyl)benzamide
CID 16450955
2-[(2-Chlorophenyl)methylamino]-1-[[3-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridine-5-carboxamide
CID 46879657
4-chloro-N-[2-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977185
2-chloro-N-[1-(2-phenoxyethyl)benzimidazol-2-yl]benzamide
CID 1348351
N-[4-[2-hydroxy-3-(2-methylbenzimidazol-1-yl)propoxy]phenyl]benzamide
CID 4284010

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylamino]-1-(2-hydroxy-3-phenoxypropyl)imidazo[4,5-b]pyridine-5-carboxamide?
The IUPAC name of 2-[(2-chlorophenyl)methylamino]-1-(2-hydroxy-3-phenoxypropyl)imidazo[4,5-b]pyridine-5-carboxamide (CID 46879619) is 2-[(2-chlorophenyl)methylamino]-1-(2-hydroxy-3-phenoxypropyl)imidazo[4,5-b]pyridine-5-carboxamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methylamino]-1-(2-hydroxy-3-phenoxypropyl)imidazo[4,5-b]pyridine-5-carboxamide?
The canonical SMILES for 2-[(2-chlorophenyl)methylamino]-1-(2-hydroxy-3-phenoxypropyl)imidazo[4,5-b]pyridine-5-carboxamide is NC(=O)c1ccc2c(n1)nc(NCc1ccccc1Cl)n2CC(O)COc1ccccc1.
What is the InChIKey of 2-[(2-chlorophenyl)methylamino]-1-(2-hydroxy-3-phenoxypropyl)imidazo[4,5-b]pyridine-5-carboxamide?
The InChIKey is AEXCNVYCEWQTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN5O3/c24-18-9-5-4-6-15(18)12-26-23-28-22-20(11-10-19(27-22)21(25)31)29(23)13-16(30)14-32-17-7-2-1-3-8-17/h1-11,16,30H,12-14H2,(H2,25,31)(H,26,27,28).
What are the key properties of 2-[(2-chlorophenyl)methylamino]-1-(2-hydroxy-3-phenoxypropyl)imidazo[4,5-b]pyridine-5-carboxamide?
2-[(2-chlorophenyl)methylamino]-1-(2-hydroxy-3-phenoxypropyl)imidazo[4,5-b]pyridine-5-carboxamide has a molecular weight of 451.91 g/mol, XLogP of 3.24, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylamino]-1-(2-hydroxy-3-phenoxypropyl)imidazo[4,5-b]pyridine-5-carboxamide is sourced from PubChem (CID 46879619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).