6,7-dimethyl-4-oxo-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]chromene-2-carboxamide

C21H19N5O3 — CID 46963208

IUPAC6,7-dimethyl-4-oxo-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]chromene-2-carboxamide
SMILESCc1cc2oc(C(=O)NCCc3nc(-c4cccnc4)n[nH]3)cc(=O)c2cc1C
InChIInChI=1S/C21H19N5O3/c1-12-8-15-16(27)10-18(29-17(15)9-13(12)2)21(28)23-7-5-19-24-20(26-25-19)14-4-3-6-22-11-14/h3-4,6,8-11H,5,7H2,1-2H3,(H,23,28)(H,24,25,26)
InChIKeyLATXRNQKMVZVIW-UHFFFAOYSA-N
MW389.42 g/mol
LogP2.56
Rot. Bonds5

About 6,7-dimethyl-4-oxo-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]chromene-2-carboxamide

6,7-dimethyl-4-oxo-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]chromene-2-carboxamide (PubChem CID 46963208) has the molecular formula C21H19N5O3 and a molecular weight of 389.42 g/mol. Its IUPAC name is 6,7-dimethyl-4-oxo-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]chromene-2-carboxamide.

Molecular Properties

Compound Name6,7-dimethyl-4-oxo-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]chromene-2-carboxamide
PubChem CID46963208
Molecular FormulaC21H19N5O3
Molecular Weight389.42 g/mol
Exact Mass389.15
IUPAC Name6,7-dimethyl-4-oxo-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]chromene-2-carboxamide
SMILESCc1cc2oc(C(=O)NCCc3nc(-c4cccnc4)n[nH]3)cc(=O)c2cc1C
InChIInChI=1S/C21H19N5O3/c1-12-8-15-16(27)10-18(29-17(15)9-13(12)2)21(28)23-7-5-19-24-20(26-25-19)14-4-3-6-22-11-14/h3-4,6,8-11H,5,7H2,1-2H3,(H,23,28)(H,24,25,26)
InChIKeyLATXRNQKMVZVIW-UHFFFAOYSA-N
XLogP2.56
TPSA113.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6,7-dimethyl-4-oxo-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]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 6,7-dimethyl-4-oxo-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]chromene-2-carboxamide?
The IUPAC name of 6,7-dimethyl-4-oxo-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]chromene-2-carboxamide (CID 46963208) is 6,7-dimethyl-4-oxo-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]chromene-2-carboxamide.
What is the SMILES notation for 6,7-dimethyl-4-oxo-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]chromene-2-carboxamide?
The canonical SMILES for 6,7-dimethyl-4-oxo-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]chromene-2-carboxamide is Cc1cc2oc(C(=O)NCCc3nc(-c4cccnc4)n[nH]3)cc(=O)c2cc1C.
What is the InChIKey of 6,7-dimethyl-4-oxo-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]chromene-2-carboxamide?
The InChIKey is LATXRNQKMVZVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3/c1-12-8-15-16(27)10-18(29-17(15)9-13(12)2)21(28)23-7-5-19-24-20(26-25-19)14-4-3-6-22-11-14/h3-4,6,8-11H,5,7H2,1-2H3,(H,23,28)(H,24,25,26).
What are the key properties of 6,7-dimethyl-4-oxo-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]chromene-2-carboxamide?
6,7-dimethyl-4-oxo-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]chromene-2-carboxamide has a molecular weight of 389.42 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-4-oxo-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]chromene-2-carboxamide is sourced from PubChem (CID 46963208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).