2-oxo-N-[3-(1,2,4-triazol-4-yl)phenyl]-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxamide

C19H19N5O2 — CID 16672857

IUPAC2-oxo-N-[3-(1,2,4-triazol-4-yl)phenyl]-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(-n2cnnc2)c1)c1cc2c([nH]c1=O)CCCCC2
InChIInChI=1S/C19H19N5O2/c25-18(16-9-13-5-2-1-3-8-17(13)23-19(16)26)22-14-6-4-7-15(10-14)24-11-20-21-12-24/h4,6-7,9-12H,1-3,5,8H2,(H,22,25)(H,23,26)
InChIKeyPVVUXPVSUHTJQK-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.48
Rot. Bonds3

About 2-oxo-N-[3-(1,2,4-triazol-4-yl)phenyl]-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxamide

2-oxo-N-[3-(1,2,4-triazol-4-yl)phenyl]-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxamide (PubChem CID 16672857) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 2-oxo-N-[3-(1,2,4-triazol-4-yl)phenyl]-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[3-(1,2,4-triazol-4-yl)phenyl]-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxamide
PubChem CID16672857
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name2-oxo-N-[3-(1,2,4-triazol-4-yl)phenyl]-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(-n2cnnc2)c1)c1cc2c([nH]c1=O)CCCCC2
InChIInChI=1S/C19H19N5O2/c25-18(16-9-13-5-2-1-3-8-17(13)23-19(16)26)22-14-6-4-7-15(10-14)24-11-20-21-12-24/h4,6-7,9-12H,1-3,5,8H2,(H,22,25)(H,23,26)
InChIKeyPVVUXPVSUHTJQK-UHFFFAOYSA-N
XLogP2.48
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-oxo-N-[3-(1,2,4-triazol-4-yl)phenyl]-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxamide with MolForge

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Related Compounds

6-ethyl-N-[3-(3-methyl-1,2,4-triazol-4-yl)phenyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 154844621
N-(3-chloro-4-fluorophenyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
CID 56921801
2-[[4-[(2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carbonyl)amino]benzoyl]amino]acetic acid
CID 119220455
5-[(2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carbonyl)amino]-1-benzofuran-2-carboxylic acid
CID 120690723
3-phenyl-N-[3-(1,2,4-triazol-4-yl)phenyl]-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide
CID 32582827
methyl 2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]benzoate
CID 66495211
N-(2,4-dichlorophenyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 66495696
N-[3-(1,2,4-triazol-4-yl)phenyl]-2-(trifluoromethoxy)benzamide
CID 75497339
2-oxo-N-quinolin-5-yl-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
CID 52898614
(6R)-N-(3,4-difluorophenyl)-6-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 95196424
2,5-dioxo-N-[3-(5-oxopyrrolidin-3-yl)phenyl]-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 127622913
2,5-dioxo-N-[3-(trifluoromethoxy)phenyl]-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 66495557

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[3-(1,2,4-triazol-4-yl)phenyl]-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxamide?
The IUPAC name of 2-oxo-N-[3-(1,2,4-triazol-4-yl)phenyl]-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxamide (CID 16672857) is 2-oxo-N-[3-(1,2,4-triazol-4-yl)phenyl]-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxamide.
What is the SMILES notation for 2-oxo-N-[3-(1,2,4-triazol-4-yl)phenyl]-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-N-[3-(1,2,4-triazol-4-yl)phenyl]-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxamide is O=C(Nc1cccc(-n2cnnc2)c1)c1cc2c([nH]c1=O)CCCCC2.
What is the InChIKey of 2-oxo-N-[3-(1,2,4-triazol-4-yl)phenyl]-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxamide?
The InChIKey is PVVUXPVSUHTJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c25-18(16-9-13-5-2-1-3-8-17(13)23-19(16)26)22-14-6-4-7-15(10-14)24-11-20-21-12-24/h4,6-7,9-12H,1-3,5,8H2,(H,22,25)(H,23,26).
What are the key properties of 2-oxo-N-[3-(1,2,4-triazol-4-yl)phenyl]-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxamide?
2-oxo-N-[3-(1,2,4-triazol-4-yl)phenyl]-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[3-(1,2,4-triazol-4-yl)phenyl]-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxamide is sourced from PubChem (CID 16672857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).