N-[3-chloro-4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]pyridine-2-carboxamide

C19H11ClN4O3 — CID 45110764

IUPACN-[3-chloro-4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(N2C(=O)c3cccnc3C2=O)c(Cl)c1)c1ccccn1
InChIInChI=1S/C19H11ClN4O3/c20-13-10-11(23-17(25)14-5-1-2-8-21-14)6-7-15(13)24-18(26)12-4-3-9-22-16(12)19(24)27/h1-10H,(H,23,25)
InChIKeyUVOBNCFPBPXBHS-UHFFFAOYSA-N
MW378.78 g/mol
LogP3.18
Rot. Bonds3

About N-[3-chloro-4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]pyridine-2-carboxamide

N-[3-chloro-4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]pyridine-2-carboxamide (PubChem CID 45110764) has the molecular formula C19H11ClN4O3 and a molecular weight of 378.78 g/mol. Its IUPAC name is N-[3-chloro-4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]pyridine-2-carboxamide
PubChem CID45110764
Molecular FormulaC19H11ClN4O3
Molecular Weight378.78 g/mol
Exact Mass378.05
IUPAC NameN-[3-chloro-4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(N2C(=O)c3cccnc3C2=O)c(Cl)c1)c1ccccn1
InChIInChI=1S/C19H11ClN4O3/c20-13-10-11(23-17(25)14-5-1-2-8-21-14)6-7-15(13)24-18(26)12-4-3-9-22-16(12)19(24)27/h1-10H,(H,23,25)
InChIKeyUVOBNCFPBPXBHS-UHFFFAOYSA-N
XLogP3.18
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.78
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze N-[3-chloro-4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-chloro-4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)phenyl]pyridine-2-carboxamide
CID 53233277
N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]pyridine-2-carboxamide
CID 45110009
N-[3-chloro-4-(2,10-dioxo-1,3-diazecan-1-yl)phenyl]pyridine-2-carboxamide
CID 123639500
N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-2-cyclopentylsulfanylpyridine-3-carboxamide
CID 55872578
N-[3-chloro-4-(2,5-dioxo-3-phenylpyrrolidin-1-yl)phenyl]pyridine-2-carboxamide
CID 45110765
N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]buta-2,3-dienamide
CID 176547430
N-[3-chloro-4-(4-cyclohexyl-2,5-dioxoimidazolidin-1-yl)phenyl]pyridine-2-carboxamide
CID 67060315
N-[3-chloro-4-(2,5-dioxo-3-phenylpyrrolidin-1-yl)phenyl]pyridine-2-carboxamide;hydrochloride
CID 56649211
N-[3-chloro-4-(6,8-dioxo-5,7-diazaspiro[3.4]octan-7-yl)phenyl]pyridine-2-carboxamide;N-[3-chloro-4-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)phenyl]pyridine-2-carboxamide
CID 162247668
2,5-dichloro-N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]thiophene-3-carboxamide
CID 55778635
6-(2-acetylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione
CID 79671598
N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 55778383

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[3-chloro-4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]pyridine-2-carboxamide (CID 45110764) is N-[3-chloro-4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[3-chloro-4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]pyridine-2-carboxamide is O=C(Nc1ccc(N2C(=O)c3cccnc3C2=O)c(Cl)c1)c1ccccn1.
What is the InChIKey of N-[3-chloro-4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]pyridine-2-carboxamide?
The InChIKey is UVOBNCFPBPXBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClN4O3/c20-13-10-11(23-17(25)14-5-1-2-8-21-14)6-7-15(13)24-18(26)12-4-3-9-22-16(12)19(24)27/h1-10H,(H,23,25).
What are the key properties of N-[3-chloro-4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]pyridine-2-carboxamide?
N-[3-chloro-4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]pyridine-2-carboxamide has a molecular weight of 378.78 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 45110764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).