2-oxo-N-[(6-phenylpyrimidin-4-yl)methyl]chromene-3-carboxamide

C21H15N3O3 — CID 122261785

IUPAC2-oxo-N-[(6-phenylpyrimidin-4-yl)methyl]chromene-3-carboxamide
SMILESO=C(NCc1cc(-c2ccccc2)ncn1)c1cc2ccccc2oc1=O
InChIInChI=1S/C21H15N3O3/c25-20(17-10-15-8-4-5-9-19(15)27-21(17)26)22-12-16-11-18(24-13-23-16)14-6-2-1-3-7-14/h1-11,13H,12H2,(H,22,25)
InChIKeyDZTFZARLGVWHLI-UHFFFAOYSA-N
MW357.37 g/mol
LogP3.18
Rot. Bonds4

About 2-oxo-N-[(6-phenylpyrimidin-4-yl)methyl]chromene-3-carboxamide

2-oxo-N-[(6-phenylpyrimidin-4-yl)methyl]chromene-3-carboxamide (PubChem CID 122261785) has the molecular formula C21H15N3O3 and a molecular weight of 357.37 g/mol. Its IUPAC name is 2-oxo-N-[(6-phenylpyrimidin-4-yl)methyl]chromene-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[(6-phenylpyrimidin-4-yl)methyl]chromene-3-carboxamide
PubChem CID122261785
Molecular FormulaC21H15N3O3
Molecular Weight357.37 g/mol
Exact Mass357.11
IUPAC Name2-oxo-N-[(6-phenylpyrimidin-4-yl)methyl]chromene-3-carboxamide
SMILESO=C(NCc1cc(-c2ccccc2)ncn1)c1cc2ccccc2oc1=O
InChIInChI=1S/C21H15N3O3/c25-20(17-10-15-8-4-5-9-19(15)27-21(17)26)22-12-16-11-18(24-13-23-16)14-6-2-1-3-7-14/h1-11,13H,12H2,(H,22,25)
InChIKeyDZTFZARLGVWHLI-UHFFFAOYSA-N
XLogP3.18
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-2-oxochromene-3-carboxamide
CID 122262283
2-oxo-N-(quinolin-2-ylmethyl)chromene-3-carboxamide
CID 110745561
2-oxo-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]chromene-3-carboxamide
CID 121165322
2,6-difluoro-N-[(6-phenylpyrimidin-4-yl)methyl]benzamide
CID 122261961
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-oxochromene-3-carboxamide
CID 108737563
2-benzoyl-N-[(6-phenylpyrimidin-4-yl)methyl]benzamide
CID 122261778
2-oxo-N-[(6-phenylpyrimidin-4-yl)methyl]-1H-pyridine-3-carboxamide
CID 122261802
N-[(5-acetyl-6-methyl-2-pyridinyl)methyl]-2-oxochromene-3-carboxamide
CID 75435887
N-[(6-phenylpyrimidin-4-yl)methyl]pyridine-2-carboxamide
CID 122261812
3,5-dichloro-N-[(6-phenylpyrimidin-4-yl)methyl]benzamide
CID 122261935
2,4-dioxo-N-[(6-phenylpyrimidin-4-yl)methyl]-1H-pyrimidine-6-carboxamide
CID 122262021
N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-oxochromene-3-carboxamide
CID 56786046

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[(6-phenylpyrimidin-4-yl)methyl]chromene-3-carboxamide?
The IUPAC name of 2-oxo-N-[(6-phenylpyrimidin-4-yl)methyl]chromene-3-carboxamide (CID 122261785) is 2-oxo-N-[(6-phenylpyrimidin-4-yl)methyl]chromene-3-carboxamide.
What is the SMILES notation for 2-oxo-N-[(6-phenylpyrimidin-4-yl)methyl]chromene-3-carboxamide?
The canonical SMILES for 2-oxo-N-[(6-phenylpyrimidin-4-yl)methyl]chromene-3-carboxamide is O=C(NCc1cc(-c2ccccc2)ncn1)c1cc2ccccc2oc1=O.
What is the InChIKey of 2-oxo-N-[(6-phenylpyrimidin-4-yl)methyl]chromene-3-carboxamide?
The InChIKey is DZTFZARLGVWHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O3/c25-20(17-10-15-8-4-5-9-19(15)27-21(17)26)22-12-16-11-18(24-13-23-16)14-6-2-1-3-7-14/h1-11,13H,12H2,(H,22,25).
What are the key properties of 2-oxo-N-[(6-phenylpyrimidin-4-yl)methyl]chromene-3-carboxamide?
2-oxo-N-[(6-phenylpyrimidin-4-yl)methyl]chromene-3-carboxamide has a molecular weight of 357.37 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[(6-phenylpyrimidin-4-yl)methyl]chromene-3-carboxamide is sourced from PubChem (CID 122261785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).