6-(3-methylanilino)-2,4-dihydroimidazo[4,5-b]pyridin-5-one

C13H12N4O — CID 159330375

IUPAC6-(3-methylanilino)-2,4-dihydroimidazo[4,5-b]pyridin-5-one
SMILESCc1cccc(Nc2cc3c([nH]c2=O)=NCN=3)c1
InChIInChI=1S/C13H12N4O/c1-8-3-2-4-9(5-8)16-11-6-10-12(15-7-14-10)17-13(11)18/h2-6,16H,7H2,1H3,(H,15,17,18)
InChIKeyPCWLDYXRUJSYMY-UHFFFAOYSA-N
MW240.27 g/mol
LogP0.64
Rot. Bonds2

About 6-(3-methylanilino)-2,4-dihydroimidazo[4,5-b]pyridin-5-one

6-(3-methylanilino)-2,4-dihydroimidazo[4,5-b]pyridin-5-one (PubChem CID 159330375) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 6-(3-methylanilino)-2,4-dihydroimidazo[4,5-b]pyridin-5-one.

Molecular Properties

Compound Name6-(3-methylanilino)-2,4-dihydroimidazo[4,5-b]pyridin-5-one
PubChem CID159330375
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name6-(3-methylanilino)-2,4-dihydroimidazo[4,5-b]pyridin-5-one
SMILESCc1cccc(Nc2cc3c([nH]c2=O)=NCN=3)c1
InChIInChI=1S/C13H12N4O/c1-8-3-2-4-9(5-8)16-11-6-10-12(15-7-14-10)17-13(11)18/h2-6,16H,7H2,1H3,(H,15,17,18)
InChIKeyPCWLDYXRUJSYMY-UHFFFAOYSA-N
XLogP0.64
TPSA69.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-fluoro-4-methylanilino)-2,4-dihydroimidazo[4,5-b]pyridin-5-one;N-(2-fluoro-4-methylphenyl)-5-methoxy-2H-imidazo[4,5-b]pyridin-6-amine;5-methoxy-N-(3-methylphenyl)-2H-imidazo[4,5-b]pyridin-6-amine;5-methoxy-N-[4-(trifluoromethoxy)phenyl]-2H-imidazo[4,5-b]pyridin-6-amine;6-(3-methylanilino)-2,4-dihydroimidazo[4,5-b]pyridin-5-one;6-[4-(6-methyl-3-pyridinyl)anilino]-2,4-dihydroimidazo[4,5-b]pyridin-5-one;6-[3-(trifluoromethoxy)anilino]-2,4-dihydroimidazo[4,5-b]pyridin-5-one
CID 159330374
6-N,6-N-dimethyl-2-N-(3-methylphenyl)-1,4-dihydro-1,3,5-triazine-2,6-diamine
CID 130258017
5-chloro-4-(3-methylanilino)-1H-pyrimidin-6-one
CID 136970384
2-methyl-1-N-(3-methylphenyl)benzene-1,4-diamine
CID 43165599
4-methyl-3-N-(3-methylphenyl)benzene-1,3-diamine
CID 62588854
4-(3-methylanilino)-2,9-dihydropyrido[3,4-b]indol-1-one
CID 169316028
1,1'-biphenyl;3-methyl-N-phenylaniline
CID 19838437
N-(3-methylphenyl)-5-oxo-1,4-dihydropyrazole-3-carboxamide
CID 110467708
1-N-methyl-3-N-(3-methylphenyl)-2-nitrobenzene-1,3-diamine
CID 80755397
5-methyl-N-(3-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 126982467
N-(3-methylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 43397609
N-[4-(4-anilinophenyl)phenyl]-3-methylaniline
CID 90221896

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylanilino)-2,4-dihydroimidazo[4,5-b]pyridin-5-one?
The IUPAC name of 6-(3-methylanilino)-2,4-dihydroimidazo[4,5-b]pyridin-5-one (CID 159330375) is 6-(3-methylanilino)-2,4-dihydroimidazo[4,5-b]pyridin-5-one.
What is the SMILES notation for 6-(3-methylanilino)-2,4-dihydroimidazo[4,5-b]pyridin-5-one?
The canonical SMILES for 6-(3-methylanilino)-2,4-dihydroimidazo[4,5-b]pyridin-5-one is Cc1cccc(Nc2cc3c([nH]c2=O)=NCN=3)c1.
What is the InChIKey of 6-(3-methylanilino)-2,4-dihydroimidazo[4,5-b]pyridin-5-one?
The InChIKey is PCWLDYXRUJSYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c1-8-3-2-4-9(5-8)16-11-6-10-12(15-7-14-10)17-13(11)18/h2-6,16H,7H2,1H3,(H,15,17,18).
What are the key properties of 6-(3-methylanilino)-2,4-dihydroimidazo[4,5-b]pyridin-5-one?
6-(3-methylanilino)-2,4-dihydroimidazo[4,5-b]pyridin-5-one has a molecular weight of 240.27 g/mol, XLogP of 0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylanilino)-2,4-dihydroimidazo[4,5-b]pyridin-5-one is sourced from PubChem (CID 159330375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).