4-oxo-N-pyridin-4-yl-1,5,6,7-tetrahydroindole-3-carboxamide

C14H13N3O2 — CID 18696546

IUPAC4-oxo-N-pyridin-4-yl-1,5,6,7-tetrahydroindole-3-carboxamide
SMILESO=C(Nc1ccncc1)c1c[nH]c2c1C(=O)CCC2
InChIInChI=1S/C14H13N3O2/c18-12-3-1-2-11-13(12)10(8-16-11)14(19)17-9-4-6-15-7-5-9/h4-8,16H,1-3H2,(H,15,17,19)
InChIKeyLCWVLEUWDWLYKG-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.18
Rot. Bonds2

About 4-oxo-N-pyridin-4-yl-1,5,6,7-tetrahydroindole-3-carboxamide

4-oxo-N-pyridin-4-yl-1,5,6,7-tetrahydroindole-3-carboxamide (PubChem CID 18696546) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 4-oxo-N-pyridin-4-yl-1,5,6,7-tetrahydroindole-3-carboxamide.

Molecular Properties

Compound Name4-oxo-N-pyridin-4-yl-1,5,6,7-tetrahydroindole-3-carboxamide
PubChem CID18696546
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name4-oxo-N-pyridin-4-yl-1,5,6,7-tetrahydroindole-3-carboxamide
SMILESO=C(Nc1ccncc1)c1c[nH]c2c1C(=O)CCC2
InChIInChI=1S/C14H13N3O2/c18-12-3-1-2-11-13(12)10(8-16-11)14(19)17-9-4-6-15-7-5-9/h4-8,16H,1-3H2,(H,15,17,19)
InChIKeyLCWVLEUWDWLYKG-UHFFFAOYSA-N
XLogP2.18
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-oxo-1,5,6,7-tetrahydroindole-3-carbonyl)amino]benzoic acid
CID 15337628
4-oxo-N-pyridin-3-yl-5,6,7,8-tetrahydro-1H-cyclohepta[b]pyrrole-3-carboxamide
CID 18696540
N-[4-(2-aminopropyl)phenyl]-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide
CID 59917838
N-[4-(2-hydroxyethoxy)phenyl]-4-oxo-5,6,7,8-tetrahydro-1H-cyclohepta[b]pyrrole-3-carboxamide
CID 59983939
methyl-N-[2-[4-[(4-oxo-1,5,6,7-tetrahydroindole-3-carbonyl)amino]phenoxy]ethyl]-N-propylboronamidic acid
CID 59917848
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
6,6-dimethyl-4-oxo-N-phenyl-5,7-dihydro-1H-indole-3-carboxamide;ethane
CID 91352681
N-(4-hydroxyphenyl)-6-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide
CID 22730890
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
N-[3-[3-amino-3-(4-methylcyclohexyl)propoxy]phenyl]-4-oxo-5,6,7,8-tetrahydro-1H-cyclohepta[b]pyrrole-3-carboxamide
CID 159899866
2,5-dibromo-1-N,4-N-dipyridin-4-ylbenzene-1,4-dicarboxamide
CID 35828938
N-pyridin-4-yl-2-[2-(pyridin-4-ylcarbamoyl)phenyl]benzamide
CID 23793145

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-pyridin-4-yl-1,5,6,7-tetrahydroindole-3-carboxamide?
The IUPAC name of 4-oxo-N-pyridin-4-yl-1,5,6,7-tetrahydroindole-3-carboxamide (CID 18696546) is 4-oxo-N-pyridin-4-yl-1,5,6,7-tetrahydroindole-3-carboxamide.
What is the SMILES notation for 4-oxo-N-pyridin-4-yl-1,5,6,7-tetrahydroindole-3-carboxamide?
The canonical SMILES for 4-oxo-N-pyridin-4-yl-1,5,6,7-tetrahydroindole-3-carboxamide is O=C(Nc1ccncc1)c1c[nH]c2c1C(=O)CCC2.
What is the InChIKey of 4-oxo-N-pyridin-4-yl-1,5,6,7-tetrahydroindole-3-carboxamide?
The InChIKey is LCWVLEUWDWLYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c18-12-3-1-2-11-13(12)10(8-16-11)14(19)17-9-4-6-15-7-5-9/h4-8,16H,1-3H2,(H,15,17,19).
What are the key properties of 4-oxo-N-pyridin-4-yl-1,5,6,7-tetrahydroindole-3-carboxamide?
4-oxo-N-pyridin-4-yl-1,5,6,7-tetrahydroindole-3-carboxamide has a molecular weight of 255.28 g/mol, XLogP of 2.18, 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-4-yl-1,5,6,7-tetrahydroindole-3-carboxamide is sourced from PubChem (CID 18696546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).