N-[(5-methyl-2-phenyltriazol-4-yl)methyl]-2H-chromene-3-carboxamide

C20H18N4O2 — CID 2738913

IUPACN-[(5-methyl-2-phenyltriazol-4-yl)methyl]-2H-chromene-3-carboxamide
SMILESCc1nn(-c2ccccc2)nc1CNC(=O)C1=Cc2ccccc2OC1
InChIInChI=1S/C20H18N4O2/c1-14-18(23-24(22-14)17-8-3-2-4-9-17)12-21-20(25)16-11-15-7-5-6-10-19(15)26-13-16/h2-11H,12-13H2,1H3,(H,21,25)
InChIKeyUTUCSKGYSOVHCY-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.67
Rot. Bonds4

About N-[(5-methyl-2-phenyltriazol-4-yl)methyl]-2H-chromene-3-carboxamide

N-[(5-methyl-2-phenyltriazol-4-yl)methyl]-2H-chromene-3-carboxamide (PubChem CID 2738913) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-[(5-methyl-2-phenyltriazol-4-yl)methyl]-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[(5-methyl-2-phenyltriazol-4-yl)methyl]-2H-chromene-3-carboxamide
PubChem CID2738913
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC NameN-[(5-methyl-2-phenyltriazol-4-yl)methyl]-2H-chromene-3-carboxamide
SMILESCc1nn(-c2ccccc2)nc1CNC(=O)C1=Cc2ccccc2OC1
InChIInChI=1S/C20H18N4O2/c1-14-18(23-24(22-14)17-8-3-2-4-9-17)12-21-20(25)16-11-15-7-5-6-10-19(15)26-13-16/h2-11H,12-13H2,1H3,(H,21,25)
InChIKeyUTUCSKGYSOVHCY-UHFFFAOYSA-N
XLogP2.67
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-2-phenyltriazol-4-yl)methyl]-2H-chromene-3-carboxamide?
The IUPAC name of N-[(5-methyl-2-phenyltriazol-4-yl)methyl]-2H-chromene-3-carboxamide (CID 2738913) is N-[(5-methyl-2-phenyltriazol-4-yl)methyl]-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[(5-methyl-2-phenyltriazol-4-yl)methyl]-2H-chromene-3-carboxamide?
The canonical SMILES for N-[(5-methyl-2-phenyltriazol-4-yl)methyl]-2H-chromene-3-carboxamide is Cc1nn(-c2ccccc2)nc1CNC(=O)C1=Cc2ccccc2OC1.
What is the InChIKey of N-[(5-methyl-2-phenyltriazol-4-yl)methyl]-2H-chromene-3-carboxamide?
The InChIKey is UTUCSKGYSOVHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-14-18(23-24(22-14)17-8-3-2-4-9-17)12-21-20(25)16-11-15-7-5-6-10-19(15)26-13-16/h2-11H,12-13H2,1H3,(H,21,25).
What are the key properties of N-[(5-methyl-2-phenyltriazol-4-yl)methyl]-2H-chromene-3-carboxamide?
N-[(5-methyl-2-phenyltriazol-4-yl)methyl]-2H-chromene-3-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-2-phenyltriazol-4-yl)methyl]-2H-chromene-3-carboxamide is sourced from PubChem (CID 2738913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).