2-[(2-chlorophenyl)methylamino]-1-[(2-methoxyphenyl)methyl]imidazo[4,5-b]pyridine-5-carboxamide

C22H20ClN5O2 — CID 46879617

IUPAC2-[(2-chlorophenyl)methylamino]-1-[(2-methoxyphenyl)methyl]imidazo[4,5-b]pyridine-5-carboxamide
SMILESCOc1ccccc1Cn1c(NCc2ccccc2Cl)nc2nc(C(N)=O)ccc21
InChIInChI=1S/C22H20ClN5O2/c1-30-19-9-5-3-7-15(19)13-28-18-11-10-17(20(24)29)26-21(18)27-22(28)25-12-14-6-2-4-8-16(14)23/h2-11H,12-13H2,1H3,(H2,24,29)(H,25,26,27)
InChIKeyZOCFLEXQGZEOEM-UHFFFAOYSA-N
MW421.89 g/mol
LogP3.85
Rot. Bonds7

About 2-[(2-chlorophenyl)methylamino]-1-[(2-methoxyphenyl)methyl]imidazo[4,5-b]pyridine-5-carboxamide

2-[(2-chlorophenyl)methylamino]-1-[(2-methoxyphenyl)methyl]imidazo[4,5-b]pyridine-5-carboxamide (PubChem CID 46879617) has the molecular formula C22H20ClN5O2 and a molecular weight of 421.89 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylamino]-1-[(2-methoxyphenyl)methyl]imidazo[4,5-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylamino]-1-[(2-methoxyphenyl)methyl]imidazo[4,5-b]pyridine-5-carboxamide
PubChem CID46879617
Molecular FormulaC22H20ClN5O2
Molecular Weight421.89 g/mol
Exact Mass421.13
IUPAC Name2-[(2-chlorophenyl)methylamino]-1-[(2-methoxyphenyl)methyl]imidazo[4,5-b]pyridine-5-carboxamide
SMILESCOc1ccccc1Cn1c(NCc2ccccc2Cl)nc2nc(C(N)=O)ccc21
InChIInChI=1S/C22H20ClN5O2/c1-30-19-9-5-3-7-15(19)13-28-18-11-10-17(20(24)29)26-21(18)27-22(28)25-12-14-6-2-4-8-16(14)23/h2-11H,12-13H2,1H3,(H2,24,29)(H,25,26,27)
InChIKeyZOCFLEXQGZEOEM-UHFFFAOYSA-N
XLogP3.85
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.89
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-(4-chlorophenoxy)phenyl)-1H-imidazo[4,5-b]pyridine-5-carboxamide
CID 10292251
2-methoxy-N-[2-(1-methyl-1H-benzimidazol-2-yl)ethyl]benzamide
CID 751281
2-chloro-6-fluoro-N-[2-(4-methoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]benzamide
CID 3588219
N-[(2-Methoxyphenyl)methyl]-2-methyl-1-(3-methylphenyl)-1H-1,3-benzodiazole-5-carboxamide
CID 3655465
[2-[3-(2,4,4-Trimethylpentan-2-ylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] 2-chlorobenzoate
CID 4659738
N-[3-(1-allyl-1H-benzimidazol-2-yl)propyl]-2-methoxybenzamide
CID 7025756
2-Ethoxy-N-({3-[(4-methylphenyl)methyl]-3H-imidazo[4,5-B]pyridin-2-YL}methyl)benzamide
CID 16031349
1-(4-Chlorophenyl)-2-[2-(4-methoxybenzoyl)benzimidazol-1-yl]ethanone
CID 45029096
1-Benzyl-2-[(2-chlorophenyl)methylamino]imidazo[4,5-b]pyridine-5-carboxamide
CID 46879573
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-[3-[(2-methylpropan-2-yl)oxy]propyl]imidazo[4,5-b]pyridine-5-carboxamide
CID 46879658
2-(2-chlorobenzamido)-N-(3-methoxybenzyl)-1-(3-methoxypropyl)-1H-benzo[d]imidazole-5-carboxamide
CID 24779898

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylamino]-1-[(2-methoxyphenyl)methyl]imidazo[4,5-b]pyridine-5-carboxamide?
The IUPAC name of 2-[(2-chlorophenyl)methylamino]-1-[(2-methoxyphenyl)methyl]imidazo[4,5-b]pyridine-5-carboxamide (CID 46879617) is 2-[(2-chlorophenyl)methylamino]-1-[(2-methoxyphenyl)methyl]imidazo[4,5-b]pyridine-5-carboxamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methylamino]-1-[(2-methoxyphenyl)methyl]imidazo[4,5-b]pyridine-5-carboxamide?
The canonical SMILES for 2-[(2-chlorophenyl)methylamino]-1-[(2-methoxyphenyl)methyl]imidazo[4,5-b]pyridine-5-carboxamide is COc1ccccc1Cn1c(NCc2ccccc2Cl)nc2nc(C(N)=O)ccc21.
What is the InChIKey of 2-[(2-chlorophenyl)methylamino]-1-[(2-methoxyphenyl)methyl]imidazo[4,5-b]pyridine-5-carboxamide?
The InChIKey is ZOCFLEXQGZEOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN5O2/c1-30-19-9-5-3-7-15(19)13-28-18-11-10-17(20(24)29)26-21(18)27-22(28)25-12-14-6-2-4-8-16(14)23/h2-11H,12-13H2,1H3,(H2,24,29)(H,25,26,27).
What are the key properties of 2-[(2-chlorophenyl)methylamino]-1-[(2-methoxyphenyl)methyl]imidazo[4,5-b]pyridine-5-carboxamide?
2-[(2-chlorophenyl)methylamino]-1-[(2-methoxyphenyl)methyl]imidazo[4,5-b]pyridine-5-carboxamide has a molecular weight of 421.89 g/mol, XLogP of 3.85, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylamino]-1-[(2-methoxyphenyl)methyl]imidazo[4,5-b]pyridine-5-carboxamide is sourced from PubChem (CID 46879617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).