N-(4-cyanophenyl)-4-oxochromene-2-carboxamide

C17H10N2O3 — CID 2394592

IUPACN-(4-cyanophenyl)-4-oxochromene-2-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cc(=O)c3ccccc3o2)cc1
InChIInChI=1S/C17H10N2O3/c18-10-11-5-7-12(8-6-11)19-17(21)16-9-14(20)13-3-1-2-4-15(13)22-16/h1-9H,(H,19,21)
InChIKeyVYCDUJGYVPMNJZ-UHFFFAOYSA-N
MW290.28 g/mol
LogP2.92
Rot. Bonds2

About N-(4-cyanophenyl)-4-oxochromene-2-carboxamide

N-(4-cyanophenyl)-4-oxochromene-2-carboxamide (PubChem CID 2394592) has the molecular formula C17H10N2O3 and a molecular weight of 290.28 g/mol. Its IUPAC name is N-(4-cyanophenyl)-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-4-oxochromene-2-carboxamide
PubChem CID2394592
Molecular FormulaC17H10N2O3
Molecular Weight290.28 g/mol
Exact Mass290.07
IUPAC NameN-(4-cyanophenyl)-4-oxochromene-2-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cc(=O)c3ccccc3o2)cc1
InChIInChI=1S/C17H10N2O3/c18-10-11-5-7-12(8-6-11)19-17(21)16-9-14(20)13-3-1-2-4-15(13)22-16/h1-9H,(H,19,21)
InChIKeyVYCDUJGYVPMNJZ-UHFFFAOYSA-N
XLogP2.92
TPSA83.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-4-oxochromene-2-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-4-oxochromene-2-carboxamide (CID 2394592) is N-(4-cyanophenyl)-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-4-oxochromene-2-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-4-oxochromene-2-carboxamide is N#Cc1ccc(NC(=O)c2cc(=O)c3ccccc3o2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-4-oxochromene-2-carboxamide?
The InChIKey is VYCDUJGYVPMNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N2O3/c18-10-11-5-7-12(8-6-11)19-17(21)16-9-14(20)13-3-1-2-4-15(13)22-16/h1-9H,(H,19,21).
What are the key properties of N-(4-cyanophenyl)-4-oxochromene-2-carboxamide?
N-(4-cyanophenyl)-4-oxochromene-2-carboxamide has a molecular weight of 290.28 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-4-oxochromene-2-carboxamide is sourced from PubChem (CID 2394592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).