4-oxo-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]chromene-2-carboxamide

C18H13N5O3 — CID 47036755

IUPAC4-oxo-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]chromene-2-carboxamide
SMILESO=C(NCc1cccnc1-n1cncn1)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C18H13N5O3/c24-14-8-16(26-15-6-2-1-5-13(14)15)18(25)21-9-12-4-3-7-20-17(12)23-11-19-10-22-23/h1-8,10-11H,9H2,(H,21,25)
InChIKeyBOHDXGJZYSZTLU-UHFFFAOYSA-N
MW347.33 g/mol
LogP1.70
Rot. Bonds4

About 4-oxo-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]chromene-2-carboxamide

4-oxo-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]chromene-2-carboxamide (PubChem CID 47036755) has the molecular formula C18H13N5O3 and a molecular weight of 347.33 g/mol. Its IUPAC name is 4-oxo-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]chromene-2-carboxamide.

Molecular Properties

Compound Name4-oxo-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]chromene-2-carboxamide
PubChem CID47036755
Molecular FormulaC18H13N5O3
Molecular Weight347.33 g/mol
Exact Mass347.10
IUPAC Name4-oxo-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]chromene-2-carboxamide
SMILESO=C(NCc1cccnc1-n1cncn1)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C18H13N5O3/c24-14-8-16(26-15-6-2-1-5-13(14)15)18(25)21-9-12-4-3-7-20-17(12)23-11-19-10-22-23/h1-8,10-11H,9H2,(H,21,25)
InChIKeyBOHDXGJZYSZTLU-UHFFFAOYSA-N
XLogP1.70
TPSA102.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.33
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-oxo-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]chromene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]chromene-2-carboxamide?
The IUPAC name of 4-oxo-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]chromene-2-carboxamide (CID 47036755) is 4-oxo-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]chromene-2-carboxamide.
What is the SMILES notation for 4-oxo-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]chromene-2-carboxamide?
The canonical SMILES for 4-oxo-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]chromene-2-carboxamide is O=C(NCc1cccnc1-n1cncn1)c1cc(=O)c2ccccc2o1.
What is the InChIKey of 4-oxo-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]chromene-2-carboxamide?
The InChIKey is BOHDXGJZYSZTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5O3/c24-14-8-16(26-15-6-2-1-5-13(14)15)18(25)21-9-12-4-3-7-20-17(12)23-11-19-10-22-23/h1-8,10-11H,9H2,(H,21,25).
What are the key properties of 4-oxo-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]chromene-2-carboxamide?
4-oxo-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]chromene-2-carboxamide has a molecular weight of 347.33 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]chromene-2-carboxamide is sourced from PubChem (CID 47036755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).