9-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)fluorene-2-carboxamide

C21H14N4O2 — CID 16613074

IUPAC9-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)fluorene-2-carboxamide
SMILESO=C(NCc1nnc2ccccn12)c1ccc2c(c1)C(=O)c1ccccc1-2
InChIInChI=1S/C21H14N4O2/c26-20-16-6-2-1-5-14(16)15-9-8-13(11-17(15)20)21(27)22-12-19-24-23-18-7-3-4-10-25(18)19/h1-11H,12H2,(H,22,27)
InChIKeyYJZQATUQUGCNSU-UHFFFAOYSA-N
MW354.37 g/mol
LogP2.87
Rot. Bonds3

About 9-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)fluorene-2-carboxamide

9-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)fluorene-2-carboxamide (PubChem CID 16613074) has the molecular formula C21H14N4O2 and a molecular weight of 354.37 g/mol. Its IUPAC name is 9-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)fluorene-2-carboxamide.

Molecular Properties

Compound Name9-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)fluorene-2-carboxamide
PubChem CID16613074
Molecular FormulaC21H14N4O2
Molecular Weight354.37 g/mol
Exact Mass354.11
IUPAC Name9-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)fluorene-2-carboxamide
SMILESO=C(NCc1nnc2ccccn12)c1ccc2c(c1)C(=O)c1ccccc1-2
InChIInChI=1S/C21H14N4O2/c26-20-16-6-2-1-5-14(16)15-9-8-13(11-17(15)20)21(27)22-12-19-24-23-18-7-3-4-10-25(18)19/h1-11H,12H2,(H,22,27)
InChIKeyYJZQATUQUGCNSU-UHFFFAOYSA-N
XLogP2.87
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 9020998
4-amino-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 61274777
3-chloro-4-hydroxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 31282558
2-(aminomethyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 114326281
3-(methanesulfonamido)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 31282806
6-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 9021014
4-(acetamidomethyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 31282713
6-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 30289705
4-methyl-3-piperidin-1-ylsulfonyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 9021031
3,5-dimethoxy-4-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 39761297
3-bromo-5-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 104852495
N-[2-oxo-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)ethyl]benzamide
CID 40709589

Frequently Asked Questions

What is the IUPAC name of 9-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)fluorene-2-carboxamide?
The IUPAC name of 9-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)fluorene-2-carboxamide (CID 16613074) is 9-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)fluorene-2-carboxamide.
What is the SMILES notation for 9-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)fluorene-2-carboxamide?
The canonical SMILES for 9-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)fluorene-2-carboxamide is O=C(NCc1nnc2ccccn12)c1ccc2c(c1)C(=O)c1ccccc1-2.
What is the InChIKey of 9-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)fluorene-2-carboxamide?
The InChIKey is YJZQATUQUGCNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N4O2/c26-20-16-6-2-1-5-14(16)15-9-8-13(11-17(15)20)21(27)22-12-19-24-23-18-7-3-4-10-25(18)19/h1-11H,12H2,(H,22,27).
What are the key properties of 9-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)fluorene-2-carboxamide?
9-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)fluorene-2-carboxamide has a molecular weight of 354.37 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)fluorene-2-carboxamide is sourced from PubChem (CID 16613074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).