4-oxo-N-pyridin-3-yl-5,6,7,8-tetrahydro-1H-cyclohepta[b]pyrrole-3-carboxamide

C15H15N3O2 — CID 18696540

IUPAC4-oxo-N-pyridin-3-yl-5,6,7,8-tetrahydro-1H-cyclohepta[b]pyrrole-3-carboxamide
SMILESO=C(Nc1cccnc1)c1c[nH]c2c1C(=O)CCCC2
InChIInChI=1S/C15H15N3O2/c19-13-6-2-1-5-12-14(13)11(9-17-12)15(20)18-10-4-3-7-16-8-10/h3-4,7-9,17H,1-2,5-6H2,(H,18,20)
InChIKeyRSBLDQVMYQFMDH-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.57
Rot. Bonds2

About 4-oxo-N-pyridin-3-yl-5,6,7,8-tetrahydro-1H-cyclohepta[b]pyrrole-3-carboxamide

4-oxo-N-pyridin-3-yl-5,6,7,8-tetrahydro-1H-cyclohepta[b]pyrrole-3-carboxamide (PubChem CID 18696540) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 4-oxo-N-pyridin-3-yl-5,6,7,8-tetrahydro-1H-cyclohepta[b]pyrrole-3-carboxamide.

Molecular Properties

Compound Name4-oxo-N-pyridin-3-yl-5,6,7,8-tetrahydro-1H-cyclohepta[b]pyrrole-3-carboxamide
PubChem CID18696540
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name4-oxo-N-pyridin-3-yl-5,6,7,8-tetrahydro-1H-cyclohepta[b]pyrrole-3-carboxamide
SMILESO=C(Nc1cccnc1)c1c[nH]c2c1C(=O)CCCC2
InChIInChI=1S/C15H15N3O2/c19-13-6-2-1-5-12-14(13)11(9-17-12)15(20)18-10-4-3-7-16-8-10/h3-4,7-9,17H,1-2,5-6H2,(H,18,20)
InChIKeyRSBLDQVMYQFMDH-UHFFFAOYSA-N
XLogP2.57
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-oxo-N-pyridin-4-yl-1,5,6,7-tetrahydroindole-3-carboxamide
CID 18696546
N-[4-(2-hydroxyethoxy)phenyl]-4-oxo-5,6,7,8-tetrahydro-1H-cyclohepta[b]pyrrole-3-carboxamide
CID 59983939
N-pyridin-3-yl-1H-indole-3-carboxamide
CID 43399328
4-oxo-N-pyridin-3-yl-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 167853656
N-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-pyridinyl]-4-oxo-5,6,7,8-tetrahydro-1H-cyclohepta[b]pyrrole-3-carboxamide
CID 10222385
N-(6-chloro-3-pyridinyl)-5,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaene-3-carboxamide
CID 90893310
1-oxo-N-pyridin-3-yl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-8-carboxamide
CID 134463470
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CID 104557847
N-pyridin-3-yl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 73051105
2,5-dimethyl-N-pyridin-3-ylfuran-3-carboxamide
CID 1225414
2-benzamido-N-pyridin-3-ylbenzamide
CID 730923
2-N,9-N-dipyridin-3-yl-1,10-phenanthroline-2,9-dicarboxamide
CID 155927483

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-pyridin-3-yl-5,6,7,8-tetrahydro-1H-cyclohepta[b]pyrrole-3-carboxamide?
The IUPAC name of 4-oxo-N-pyridin-3-yl-5,6,7,8-tetrahydro-1H-cyclohepta[b]pyrrole-3-carboxamide (CID 18696540) is 4-oxo-N-pyridin-3-yl-5,6,7,8-tetrahydro-1H-cyclohepta[b]pyrrole-3-carboxamide.
What is the SMILES notation for 4-oxo-N-pyridin-3-yl-5,6,7,8-tetrahydro-1H-cyclohepta[b]pyrrole-3-carboxamide?
The canonical SMILES for 4-oxo-N-pyridin-3-yl-5,6,7,8-tetrahydro-1H-cyclohepta[b]pyrrole-3-carboxamide is O=C(Nc1cccnc1)c1c[nH]c2c1C(=O)CCCC2.
What is the InChIKey of 4-oxo-N-pyridin-3-yl-5,6,7,8-tetrahydro-1H-cyclohepta[b]pyrrole-3-carboxamide?
The InChIKey is RSBLDQVMYQFMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c19-13-6-2-1-5-12-14(13)11(9-17-12)15(20)18-10-4-3-7-16-8-10/h3-4,7-9,17H,1-2,5-6H2,(H,18,20).
What are the key properties of 4-oxo-N-pyridin-3-yl-5,6,7,8-tetrahydro-1H-cyclohepta[b]pyrrole-3-carboxamide?
4-oxo-N-pyridin-3-yl-5,6,7,8-tetrahydro-1H-cyclohepta[b]pyrrole-3-carboxamide has a molecular weight of 269.30 g/mol, XLogP of 2.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-pyridin-3-yl-5,6,7,8-tetrahydro-1H-cyclohepta[b]pyrrole-3-carboxamide is sourced from PubChem (CID 18696540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).