N-[(1S,2R)-1-(3-chloro-2-methylphenyl)-1-hydroxypentan-2-yl]-2-oxo-1,3-dihydroimidazo[4,5-b]pyridine-7-carboxamide

C19H21ClN4O3 — CID 164619898

IUPACN-[(1S,2R)-1-(3-chloro-2-methylphenyl)-1-hydroxypentan-2-yl]-2-oxo-1,3-dihydroimidazo[4,5-b]pyridine-7-carboxamide
SMILESCCC[C@@H](NC(=O)c1ccnc2[nH]c(=O)[nH]c12)[C@@H](O)c1cccc(Cl)c1C
InChIInChI=1S/C19H21ClN4O3/c1-3-5-14(16(25)11-6-4-7-13(20)10(11)2)22-18(26)12-8-9-21-17-15(12)23-19(27)24-17/h4,6-9,14,16,25H,3,5H2,1-2H3,(H,22,26)(H2,21,23,24,27)/t14-,16+/m1/s1
InChIKeyLXOABPOXVPONRO-ZBFHGGJFSA-N
MW388.86 g/mol
LogP2.85
Rot. Bonds6

About N-[(1S,2R)-1-(3-chloro-2-methylphenyl)-1-hydroxypentan-2-yl]-2-oxo-1,3-dihydroimidazo[4,5-b]pyridine-7-carboxamide

N-[(1S,2R)-1-(3-chloro-2-methylphenyl)-1-hydroxypentan-2-yl]-2-oxo-1,3-dihydroimidazo[4,5-b]pyridine-7-carboxamide (PubChem CID 164619898) has the molecular formula C19H21ClN4O3 and a molecular weight of 388.86 g/mol. Its IUPAC name is N-[(1S,2R)-1-(3-chloro-2-methylphenyl)-1-hydroxypentan-2-yl]-2-oxo-1,3-dihydroimidazo[4,5-b]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R)-1-(3-chloro-2-methylphenyl)-1-hydroxypentan-2-yl]-2-oxo-1,3-dihydroimidazo[4,5-b]pyridine-7-carboxamide
PubChem CID164619898
Molecular FormulaC19H21ClN4O3
Molecular Weight388.86 g/mol
Exact Mass388.13
IUPAC NameN-[(1S,2R)-1-(3-chloro-2-methylphenyl)-1-hydroxypentan-2-yl]-2-oxo-1,3-dihydroimidazo[4,5-b]pyridine-7-carboxamide
SMILESCCC[C@@H](NC(=O)c1ccnc2[nH]c(=O)[nH]c12)[C@@H](O)c1cccc(Cl)c1C
InChIInChI=1S/C19H21ClN4O3/c1-3-5-14(16(25)11-6-4-7-13(20)10(11)2)22-18(26)12-8-9-21-17-15(12)23-19(27)24-17/h4,6-9,14,16,25H,3,5H2,1-2H3,(H,22,26)(H2,21,23,24,27)/t14-,16+/m1/s1
InChIKeyLXOABPOXVPONRO-ZBFHGGJFSA-N
XLogP2.85
TPSA110.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.86
LogP ≤ 52.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-1-(3-chloro-2-methylphenyl)-1-hydroxypentan-2-yl]-2-oxo-1,3-dihydroimidazo[4,5-b]pyridine-7-carboxamide?
The IUPAC name of N-[(1S,2R)-1-(3-chloro-2-methylphenyl)-1-hydroxypentan-2-yl]-2-oxo-1,3-dihydroimidazo[4,5-b]pyridine-7-carboxamide (CID 164619898) is N-[(1S,2R)-1-(3-chloro-2-methylphenyl)-1-hydroxypentan-2-yl]-2-oxo-1,3-dihydroimidazo[4,5-b]pyridine-7-carboxamide.
What is the SMILES notation for N-[(1S,2R)-1-(3-chloro-2-methylphenyl)-1-hydroxypentan-2-yl]-2-oxo-1,3-dihydroimidazo[4,5-b]pyridine-7-carboxamide?
The canonical SMILES for N-[(1S,2R)-1-(3-chloro-2-methylphenyl)-1-hydroxypentan-2-yl]-2-oxo-1,3-dihydroimidazo[4,5-b]pyridine-7-carboxamide is CCC[C@@H](NC(=O)c1ccnc2[nH]c(=O)[nH]c12)[C@@H](O)c1cccc(Cl)c1C.
What is the InChIKey of N-[(1S,2R)-1-(3-chloro-2-methylphenyl)-1-hydroxypentan-2-yl]-2-oxo-1,3-dihydroimidazo[4,5-b]pyridine-7-carboxamide?
The InChIKey is LXOABPOXVPONRO-ZBFHGGJFSA-N. The full InChI is InChI=1S/C19H21ClN4O3/c1-3-5-14(16(25)11-6-4-7-13(20)10(11)2)22-18(26)12-8-9-21-17-15(12)23-19(27)24-17/h4,6-9,14,16,25H,3,5H2,1-2H3,(H,22,26)(H2,21,23,24,27)/t14-,16+/m1/s1.
What are the key properties of N-[(1S,2R)-1-(3-chloro-2-methylphenyl)-1-hydroxypentan-2-yl]-2-oxo-1,3-dihydroimidazo[4,5-b]pyridine-7-carboxamide?
N-[(1S,2R)-1-(3-chloro-2-methylphenyl)-1-hydroxypentan-2-yl]-2-oxo-1,3-dihydroimidazo[4,5-b]pyridine-7-carboxamide has a molecular weight of 388.86 g/mol, XLogP of 2.85, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-1-(3-chloro-2-methylphenyl)-1-hydroxypentan-2-yl]-2-oxo-1,3-dihydroimidazo[4,5-b]pyridine-7-carboxamide is sourced from PubChem (CID 164619898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).