N-[1-(4-chlorophenyl)-1-hydroxypropan-2-yl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide

C17H17ClN4O2 — CID 110016437

IUPACN-[1-(4-chlorophenyl)-1-hydroxypropan-2-yl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide
SMILESCC(NC(=O)c1cnc2c(c1)ncn2C)C(O)c1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN4O2/c1-10(15(23)11-3-5-13(18)6-4-11)21-17(24)12-7-14-16(19-8-12)22(2)9-20-14/h3-10,15,23H,1-2H3,(H,21,24)
InChIKeyFYWZQBLEAMLEJT-UHFFFAOYSA-N
MW344.80 g/mol
LogP2.47
Rot. Bonds4

About N-[1-(4-chlorophenyl)-1-hydroxypropan-2-yl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide

N-[1-(4-chlorophenyl)-1-hydroxypropan-2-yl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 110016437) has the molecular formula C17H17ClN4O2 and a molecular weight of 344.80 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-1-hydroxypropan-2-yl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-1-hydroxypropan-2-yl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide
PubChem CID110016437
Molecular FormulaC17H17ClN4O2
Molecular Weight344.80 g/mol
Exact Mass344.10
IUPAC NameN-[1-(4-chlorophenyl)-1-hydroxypropan-2-yl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide
SMILESCC(NC(=O)c1cnc2c(c1)ncn2C)C(O)c1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN4O2/c1-10(15(23)11-3-5-13(18)6-4-11)21-17(24)12-7-14-16(19-8-12)22(2)9-20-14/h3-10,15,23H,1-2H3,(H,21,24)
InChIKeyFYWZQBLEAMLEJT-UHFFFAOYSA-N
XLogP2.47
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide
CID 97342015
N-(2-hydroxy-4-methylpentyl)-3-methylimidazo[4,5-b]pyridine-6-carboxamide
CID 110013000
N-(cyanomethyl)-3-methylimidazo[4,5-b]pyridine-6-carboxamide
CID 138042785
N-[1-(4-chlorophenyl)-1-hydroxypropan-2-yl]-4-methylsulfonylbenzamide
CID 75430606
3-chloro-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]benzamide
CID 40648027
1-(4-chlorophenyl)-2-(methylamino)propan-1-ol
CID 58497080
N-(3-hydroxy-6-methyl-2-pyridinyl)-3-methylimidazo[4,5-b]pyridine-6-carboxamide
CID 75509490
3-methyl-N-(4-phenyl-1,3-thiazol-2-yl)imidazo[4,5-b]pyridine-6-carboxamide
CID 75451095
6-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 9218589
5,6-dichloro-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 47162672
(6-chloro-2,3-dihydro-1,4-benzothiazin-4-yl)-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone
CID 86800701
(4-chloro-2-cyanophenyl)methyl 3-methylimidazo[4,5-b]pyridine-6-carboxylate
CID 167766080

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-1-hydroxypropan-2-yl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of N-[1-(4-chlorophenyl)-1-hydroxypropan-2-yl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide (CID 110016437) is N-[1-(4-chlorophenyl)-1-hydroxypropan-2-yl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-1-hydroxypropan-2-yl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-1-hydroxypropan-2-yl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide is CC(NC(=O)c1cnc2c(c1)ncn2C)C(O)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)-1-hydroxypropan-2-yl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is FYWZQBLEAMLEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O2/c1-10(15(23)11-3-5-13(18)6-4-11)21-17(24)12-7-14-16(19-8-12)22(2)9-20-14/h3-10,15,23H,1-2H3,(H,21,24).
What are the key properties of N-[1-(4-chlorophenyl)-1-hydroxypropan-2-yl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide?
N-[1-(4-chlorophenyl)-1-hydroxypropan-2-yl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 344.80 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-1-hydroxypropan-2-yl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 110016437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).