N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-3-pyrrol-1-ylbenzamide

C19H17N3O2 — CID 136520957

IUPACN-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-3-pyrrol-1-ylbenzamide
SMILESO=C(Nc1cnc2c(c1)COCC2)c1cccc(-n2cccc2)c1
InChIInChI=1S/C19H17N3O2/c23-19(14-4-3-5-17(11-14)22-7-1-2-8-22)21-16-10-15-13-24-9-6-18(15)20-12-16/h1-5,7-8,10-12H,6,9,13H2,(H,21,23)
InChIKeyAINDMVSJHJCBET-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.20
Rot. Bonds3

About N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-3-pyrrol-1-ylbenzamide

N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-3-pyrrol-1-ylbenzamide (PubChem CID 136520957) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-3-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-3-pyrrol-1-ylbenzamide
PubChem CID136520957
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC NameN-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-3-pyrrol-1-ylbenzamide
SMILESO=C(Nc1cnc2c(c1)COCC2)c1cccc(-n2cccc2)c1
InChIInChI=1S/C19H17N3O2/c23-19(14-4-3-5-17(11-14)22-7-1-2-8-22)21-16-10-15-13-24-9-6-18(15)20-12-16/h1-5,7-8,10-12H,6,9,13H2,(H,21,23)
InChIKeyAINDMVSJHJCBET-UHFFFAOYSA-N
XLogP3.20
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-3-pyrrol-1-ylbenzamide 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

4-N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)benzene-1,4-dicarboxamide
CID 154801089
N-(6-methoxy-3-pyridinyl)-3-pyrrol-1-ylbenzamide
CID 17466747
N-(3-fluorophenyl)-3-pyrrol-1-ylbenzamide
CID 16610347
N-(4-methylsulfonylphenyl)-3-pyrrol-1-ylbenzamide
CID 60605662
3-pyrrol-1-yl-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]benzamide
CID 112833260
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-pyrrol-1-ylbenzamide
CID 26702412
N-[1-(furan-2-carbonyl)-2,3-dihydroindol-6-yl]-3-pyrrol-1-ylbenzamide
CID 110303963
N-(3-cyanophenyl)-3-pyrrol-1-ylbenzamide
CID 27826709
N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-1-(2-fluoro-5-methylphenyl)-4-hydroxypyrazole-3-carboxamide
CID 167951972
N-methyl-7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-amine
CID 164584215
1-methyl-N-(3-pyrrol-1-ylphenyl)pyrazole-4-carboxamide
CID 110471452
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-pyrrol-1-ylbenzamide
CID 17426523

Frequently Asked Questions

What is the IUPAC name of N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-3-pyrrol-1-ylbenzamide?
The IUPAC name of N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-3-pyrrol-1-ylbenzamide (CID 136520957) is N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-3-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-3-pyrrol-1-ylbenzamide?
The canonical SMILES for N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-3-pyrrol-1-ylbenzamide is O=C(Nc1cnc2c(c1)COCC2)c1cccc(-n2cccc2)c1.
What is the InChIKey of N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-3-pyrrol-1-ylbenzamide?
The InChIKey is AINDMVSJHJCBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c23-19(14-4-3-5-17(11-14)22-7-1-2-8-22)21-16-10-15-13-24-9-6-18(15)20-12-16/h1-5,7-8,10-12H,6,9,13H2,(H,21,23).
What are the key properties of N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-3-pyrrol-1-ylbenzamide?
N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-3-pyrrol-1-ylbenzamide has a molecular weight of 319.36 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)-3-pyrrol-1-ylbenzamide is sourced from PubChem (CID 136520957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).