N-[phenyl(pyridin-4-yl)methyl]-2H-chromene-3-carboxamide

C22H18N2O2 — CID 86907598

IUPACN-[phenyl(pyridin-4-yl)methyl]-2H-chromene-3-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccncc1)C1=Cc2ccccc2OC1
InChIInChI=1S/C22H18N2O2/c25-22(19-14-18-8-4-5-9-20(18)26-15-19)24-21(16-6-2-1-3-7-16)17-10-12-23-13-11-17/h1-14,21H,15H2,(H,24,25)
InChIKeyHJRAAEHNAQXXMC-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.76
Rot. Bonds4

About N-[phenyl(pyridin-4-yl)methyl]-2H-chromene-3-carboxamide

N-[phenyl(pyridin-4-yl)methyl]-2H-chromene-3-carboxamide (PubChem CID 86907598) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[phenyl(pyridin-4-yl)methyl]-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[phenyl(pyridin-4-yl)methyl]-2H-chromene-3-carboxamide
PubChem CID86907598
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC NameN-[phenyl(pyridin-4-yl)methyl]-2H-chromene-3-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccncc1)C1=Cc2ccccc2OC1
InChIInChI=1S/C22H18N2O2/c25-22(19-14-18-8-4-5-9-20(18)26-15-19)24-21(16-6-2-1-3-7-16)17-10-12-23-13-11-17/h1-14,21H,15H2,(H,24,25)
InChIKeyHJRAAEHNAQXXMC-UHFFFAOYSA-N
XLogP3.76
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[phenyl(pyridin-4-yl)methyl]-2H-chromene-3-carboxamide?
The IUPAC name of N-[phenyl(pyridin-4-yl)methyl]-2H-chromene-3-carboxamide (CID 86907598) is N-[phenyl(pyridin-4-yl)methyl]-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[phenyl(pyridin-4-yl)methyl]-2H-chromene-3-carboxamide?
The canonical SMILES for N-[phenyl(pyridin-4-yl)methyl]-2H-chromene-3-carboxamide is O=C(NC(c1ccccc1)c1ccncc1)C1=Cc2ccccc2OC1.
What is the InChIKey of N-[phenyl(pyridin-4-yl)methyl]-2H-chromene-3-carboxamide?
The InChIKey is HJRAAEHNAQXXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2/c25-22(19-14-18-8-4-5-9-20(18)26-15-19)24-21(16-6-2-1-3-7-16)17-10-12-23-13-11-17/h1-14,21H,15H2,(H,24,25).
What are the key properties of N-[phenyl(pyridin-4-yl)methyl]-2H-chromene-3-carboxamide?
N-[phenyl(pyridin-4-yl)methyl]-2H-chromene-3-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[phenyl(pyridin-4-yl)methyl]-2H-chromene-3-carboxamide is sourced from PubChem (CID 86907598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).