4-oxo-N-[(2-phenylphenyl)methyl]-N-(pyridin-4-ylmethyl)chromene-3-carboxamide

C29H22N2O3 — CID 42786030

IUPAC4-oxo-N-[(2-phenylphenyl)methyl]-N-(pyridin-4-ylmethyl)chromene-3-carboxamide
SMILESO=C(c1coc2ccccc2c1=O)N(Cc1ccncc1)Cc1ccccc1-c1ccccc1
InChIInChI=1S/C29H22N2O3/c32-28-25-12-6-7-13-27(25)34-20-26(28)29(33)31(18-21-14-16-30-17-15-21)19-23-10-4-5-11-24(23)22-8-2-1-3-9-22/h1-17,20H,18-19H2
InChIKeyKJZZAWXXQXVVST-UHFFFAOYSA-N
MW446.51 g/mol
LogP5.70
Rot. Bonds6

About 4-oxo-N-[(2-phenylphenyl)methyl]-N-(pyridin-4-ylmethyl)chromene-3-carboxamide

4-oxo-N-[(2-phenylphenyl)methyl]-N-(pyridin-4-ylmethyl)chromene-3-carboxamide (PubChem CID 42786030) has the molecular formula C29H22N2O3 and a molecular weight of 446.51 g/mol. Its IUPAC name is 4-oxo-N-[(2-phenylphenyl)methyl]-N-(pyridin-4-ylmethyl)chromene-3-carboxamide.

Molecular Properties

Compound Name4-oxo-N-[(2-phenylphenyl)methyl]-N-(pyridin-4-ylmethyl)chromene-3-carboxamide
PubChem CID42786030
Molecular FormulaC29H22N2O3
Molecular Weight446.51 g/mol
Exact Mass446.16
IUPAC Name4-oxo-N-[(2-phenylphenyl)methyl]-N-(pyridin-4-ylmethyl)chromene-3-carboxamide
SMILESO=C(c1coc2ccccc2c1=O)N(Cc1ccncc1)Cc1ccccc1-c1ccccc1
InChIInChI=1S/C29H22N2O3/c32-28-25-12-6-7-13-27(25)34-20-26(28)29(33)31(18-21-14-16-30-17-15-21)19-23-10-4-5-11-24(23)22-8-2-1-3-9-22/h1-17,20H,18-19H2
InChIKeyKJZZAWXXQXVVST-UHFFFAOYSA-N
XLogP5.70
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.51
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-[(2-phenylphenyl)methyl]-N-(pyridin-4-ylmethyl)chromene-3-carboxamide?
The IUPAC name of 4-oxo-N-[(2-phenylphenyl)methyl]-N-(pyridin-4-ylmethyl)chromene-3-carboxamide (CID 42786030) is 4-oxo-N-[(2-phenylphenyl)methyl]-N-(pyridin-4-ylmethyl)chromene-3-carboxamide.
What is the SMILES notation for 4-oxo-N-[(2-phenylphenyl)methyl]-N-(pyridin-4-ylmethyl)chromene-3-carboxamide?
The canonical SMILES for 4-oxo-N-[(2-phenylphenyl)methyl]-N-(pyridin-4-ylmethyl)chromene-3-carboxamide is O=C(c1coc2ccccc2c1=O)N(Cc1ccncc1)Cc1ccccc1-c1ccccc1.
What is the InChIKey of 4-oxo-N-[(2-phenylphenyl)methyl]-N-(pyridin-4-ylmethyl)chromene-3-carboxamide?
The InChIKey is KJZZAWXXQXVVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N2O3/c32-28-25-12-6-7-13-27(25)34-20-26(28)29(33)31(18-21-14-16-30-17-15-21)19-23-10-4-5-11-24(23)22-8-2-1-3-9-22/h1-17,20H,18-19H2.
What are the key properties of 4-oxo-N-[(2-phenylphenyl)methyl]-N-(pyridin-4-ylmethyl)chromene-3-carboxamide?
4-oxo-N-[(2-phenylphenyl)methyl]-N-(pyridin-4-ylmethyl)chromene-3-carboxamide has a molecular weight of 446.51 g/mol, XLogP of 5.70, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-[(2-phenylphenyl)methyl]-N-(pyridin-4-ylmethyl)chromene-3-carboxamide is sourced from PubChem (CID 42786030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).