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

C19H14ClN5O2 — CID 127046203

IUPAC3-amino-N-[3-chloro-4-(5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)phenyl]pyridine-2-carboxamide
SMILESNc1cccnc1C(=O)Nc1ccc(N2Cc3ncccc3C2=O)c(Cl)c1
InChIInChI=1S/C19H14ClN5O2/c20-13-9-11(24-18(26)17-14(21)4-2-8-23-17)5-6-16(13)25-10-15-12(19(25)27)3-1-7-22-15/h1-9H,10,21H2,(H,24,26)
InChIKeyOVNPZKKOYABVCD-UHFFFAOYSA-N
MW379.81 g/mol
LogP3.12
Rot. Bonds3

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

3-amino-N-[3-chloro-4-(5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)phenyl]pyridine-2-carboxamide (PubChem CID 127046203) has the molecular formula C19H14ClN5O2 and a molecular weight of 379.81 g/mol. Its IUPAC name is 3-amino-N-[3-chloro-4-(5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-chloro-4-(5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)phenyl]pyridine-2-carboxamide
PubChem CID127046203
Molecular FormulaC19H14ClN5O2
Molecular Weight379.81 g/mol
Exact Mass379.08
IUPAC Name3-amino-N-[3-chloro-4-(5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)phenyl]pyridine-2-carboxamide
SMILESNc1cccnc1C(=O)Nc1ccc(N2Cc3ncccc3C2=O)c(Cl)c1
InChIInChI=1S/C19H14ClN5O2/c20-13-9-11(24-18(26)17-14(21)4-2-8-23-17)5-6-16(13)25-10-15-12(19(25)27)3-1-7-22-15/h1-9H,10,21H2,(H,24,26)
InChIKeyOVNPZKKOYABVCD-UHFFFAOYSA-N
XLogP3.12
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.81
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

Pyrrolopyridine, 20
CID 16720090
Pyrrolopyridine, 21
CID 16720091
Pyrrolopyridine, 22
CID 16720093
3-Chloro-N-(3-chloro-4-(4-chloro-1,3-dioxoisoindolin-2-yl)phenyl)picolinamide
CID 91885483
N-(3-chloro-2-methylphenyl)-4-(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)butanamide
CID 4604410
3-amino-N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]pyridine-2-carboxamide
CID 127046557
3-amino-N-[3-chloro-4-(4-methyl-1,3-dioxoisoindol-2-yl)phenyl]pyridine-2-carboxamide
CID 127046558
3-amino-N-[3-chloro-4-(3-oxo-1H-isoindol-2-yl)phenyl]pyridine-2-carboxamide
CID 127046775
3-amino-N-[4-(4-benzyl-2-oxopyrrolidin-1-yl)-3-chlorophenyl]pyridine-2-carboxamide
CID 127047061
3-amino-N-[3-chloro-4-(1-oxo-3,4-dihydroisoquinolin-2-yl)phenyl]pyridine-2-carboxamide
CID 127047065
2-chloro-N-[3-chloro-4-(piperidin-1-yl)phenyl]pyridine-3-carboxamide
CID 1085983
6-{[(4-chlorophenyl)amino]methyl}-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione
CID 2133493

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-chloro-4-(5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[3-chloro-4-(5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)phenyl]pyridine-2-carboxamide (CID 127046203) is 3-amino-N-[3-chloro-4-(5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[3-chloro-4-(5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[3-chloro-4-(5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)phenyl]pyridine-2-carboxamide is Nc1cccnc1C(=O)Nc1ccc(N2Cc3ncccc3C2=O)c(Cl)c1.
What is the InChIKey of 3-amino-N-[3-chloro-4-(5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)phenyl]pyridine-2-carboxamide?
The InChIKey is OVNPZKKOYABVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN5O2/c20-13-9-11(24-18(26)17-14(21)4-2-8-23-17)5-6-16(13)25-10-15-12(19(25)27)3-1-7-22-15/h1-9H,10,21H2,(H,24,26).
What are the key properties of 3-amino-N-[3-chloro-4-(5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)phenyl]pyridine-2-carboxamide?
3-amino-N-[3-chloro-4-(5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)phenyl]pyridine-2-carboxamide has a molecular weight of 379.81 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-chloro-4-(5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 127046203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).