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

C19H22ClN5O2 — CID 45375880

IUPAC2-[(2-chlorophenyl)methylamino]-1-(3-hydroxy-2,2-dimethylpropyl)imidazo[4,5-b]pyridine-5-carboxamide
SMILESCC(C)(CO)Cn1c(NCc2ccccc2Cl)nc2nc(C(N)=O)ccc21
InChIInChI=1S/C19H22ClN5O2/c1-19(2,11-26)10-25-15-8-7-14(16(21)27)23-17(15)24-18(25)22-9-12-5-3-4-6-13(12)20/h3-8,26H,9-11H2,1-2H3,(H2,21,27)(H,22,23,24)
InChIKeyBKMHYGNNLXNEBR-UHFFFAOYSA-N
MW387.87 g/mol
LogP2.81
Rot. Bonds7

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

2-[(2-chlorophenyl)methylamino]-1-(3-hydroxy-2,2-dimethylpropyl)imidazo[4,5-b]pyridine-5-carboxamide (PubChem CID 45375880) has the molecular formula C19H22ClN5O2 and a molecular weight of 387.87 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylamino]-1-(3-hydroxy-2,2-dimethylpropyl)imidazo[4,5-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylamino]-1-(3-hydroxy-2,2-dimethylpropyl)imidazo[4,5-b]pyridine-5-carboxamide
PubChem CID45375880
Molecular FormulaC19H22ClN5O2
Molecular Weight387.87 g/mol
Exact Mass387.15
IUPAC Name2-[(2-chlorophenyl)methylamino]-1-(3-hydroxy-2,2-dimethylpropyl)imidazo[4,5-b]pyridine-5-carboxamide
SMILESCC(C)(CO)Cn1c(NCc2ccccc2Cl)nc2nc(C(N)=O)ccc21
InChIInChI=1S/C19H22ClN5O2/c1-19(2,11-26)10-25-15-8-7-14(16(21)27)23-17(15)24-18(25)22-9-12-5-3-4-6-13(12)20/h3-8,26H,9-11H2,1-2H3,(H2,21,27)(H,22,23,24)
InChIKeyBKMHYGNNLXNEBR-UHFFFAOYSA-N
XLogP2.81
TPSA106.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[(2-chlorophenyl)methylamino]-1-(3-hydroxy-2,2-dimethylpropyl)imidazo[4,5-b]pyridine-5-carboxamide with MolForge

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Related Compounds

2-[(2-chlorophenyl)methylamino]-1-[3-[(2-methylpropan-2-yl)oxy]propyl]imidazo[4,5-b]pyridine-5-carboxamide
CID 46879658
2-[(2-chlorophenyl)methylamino]-1-[[3-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridine-5-carboxamide
CID 46879657
2-[(2-chlorophenyl)methylamino]-1-[(1R)-2,3-dihydro-1H-inden-1-yl]imidazo[4,5-b]pyridine-5-carboxamide
CID 46238368
N-[(2-chlorophenyl)methyl]-1-methyltetrazol-5-amine
CID 4725595
5-amino-2-[(2-chlorophenyl)methylamino]pyridine-3-carboxamide
CID 61358389
6-[(2-chlorophenyl)methylamino]-N-propylpyridazine-3-carboxamide
CID 109109231
4-[(2-chlorophenyl)methylamino]-N-ethylpyridine-2-carboxamide
CID 43517871
6-[(2-chlorophenyl)methylamino]-N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 109119692
N-[6-[(2-chlorophenyl)methylamino]pyridazin-3-yl]-2,2-dimethylpropanamide
CID 113041532
6-[(2-chlorophenyl)methylamino]-N-(2-methylphenyl)pyridazine-3-carboxamide
CID 109119670
N-[(2-chlorophenyl)methyl]-1-prop-2-enylbenzimidazol-2-amine
CID 7342826
N-butan-2-yl-6-[(2-chlorophenyl)methylamino]pyridazine-3-carboxamide
CID 109111563

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylamino]-1-(3-hydroxy-2,2-dimethylpropyl)imidazo[4,5-b]pyridine-5-carboxamide?
The IUPAC name of 2-[(2-chlorophenyl)methylamino]-1-(3-hydroxy-2,2-dimethylpropyl)imidazo[4,5-b]pyridine-5-carboxamide (CID 45375880) is 2-[(2-chlorophenyl)methylamino]-1-(3-hydroxy-2,2-dimethylpropyl)imidazo[4,5-b]pyridine-5-carboxamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methylamino]-1-(3-hydroxy-2,2-dimethylpropyl)imidazo[4,5-b]pyridine-5-carboxamide?
The canonical SMILES for 2-[(2-chlorophenyl)methylamino]-1-(3-hydroxy-2,2-dimethylpropyl)imidazo[4,5-b]pyridine-5-carboxamide is CC(C)(CO)Cn1c(NCc2ccccc2Cl)nc2nc(C(N)=O)ccc21.
What is the InChIKey of 2-[(2-chlorophenyl)methylamino]-1-(3-hydroxy-2,2-dimethylpropyl)imidazo[4,5-b]pyridine-5-carboxamide?
The InChIKey is BKMHYGNNLXNEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN5O2/c1-19(2,11-26)10-25-15-8-7-14(16(21)27)23-17(15)24-18(25)22-9-12-5-3-4-6-13(12)20/h3-8,26H,9-11H2,1-2H3,(H2,21,27)(H,22,23,24).
What are the key properties of 2-[(2-chlorophenyl)methylamino]-1-(3-hydroxy-2,2-dimethylpropyl)imidazo[4,5-b]pyridine-5-carboxamide?
2-[(2-chlorophenyl)methylamino]-1-(3-hydroxy-2,2-dimethylpropyl)imidazo[4,5-b]pyridine-5-carboxamide has a molecular weight of 387.87 g/mol, XLogP of 2.81, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylamino]-1-(3-hydroxy-2,2-dimethylpropyl)imidazo[4,5-b]pyridine-5-carboxamide is sourced from PubChem (CID 45375880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).