N-(2-ethylpyrimidin-5-yl)-2-oxochromene-3-carboxamide

C16H13N3O3 — CID 136516823

IUPACN-(2-ethylpyrimidin-5-yl)-2-oxochromene-3-carboxamide
SMILESCCc1ncc(NC(=O)c2cc3ccccc3oc2=O)cn1
InChIInChI=1S/C16H13N3O3/c1-2-14-17-8-11(9-18-14)19-15(20)12-7-10-5-3-4-6-13(10)22-16(12)21/h3-9H,2H2,1H3,(H,19,20)
InChIKeyBGXVDRFAGMOTKK-UHFFFAOYSA-N
MW295.30 g/mol
LogP2.40
Rot. Bonds3

About N-(2-ethylpyrimidin-5-yl)-2-oxochromene-3-carboxamide

N-(2-ethylpyrimidin-5-yl)-2-oxochromene-3-carboxamide (PubChem CID 136516823) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is N-(2-ethylpyrimidin-5-yl)-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethylpyrimidin-5-yl)-2-oxochromene-3-carboxamide
PubChem CID136516823
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC NameN-(2-ethylpyrimidin-5-yl)-2-oxochromene-3-carboxamide
SMILESCCc1ncc(NC(=O)c2cc3ccccc3oc2=O)cn1
InChIInChI=1S/C16H13N3O3/c1-2-14-17-8-11(9-18-14)19-15(20)12-7-10-5-3-4-6-13(10)22-16(12)21/h3-9H,2H2,1H3,(H,19,20)
InChIKeyBGXVDRFAGMOTKK-UHFFFAOYSA-N
XLogP2.40
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 52.40
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-(2-methyl-4-pyridinyl)-2-oxochromene-3-carboxamide
CID 110757271
N-[4-(diethylamino)phenyl]-2-oxochromene-3-carboxamide
CID 694759
2-oxo-N-(4-propoxyphenyl)chromene-3-carboxamide
CID 110493370
N-[4-[(2-oxochromene-3-carbonyl)amino]phenyl]pyridine-2-carboxamide
CID 1442136
N-[4-(hydroxymethyl)phenyl]-2-oxochromene-3-carboxamide
CID 23661443
2-oxo-N-(4-propan-2-ylphenyl)chromene-3-carboxamide
CID 724176
N-[4-(2-hydroxyethyl)phenyl]-2-oxochromene-3-carboxamide
CID 23658676
N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-oxochromene-3-carboxamide
CID 110745312
2-oxo-N-[4-(trifluoromethyl)phenyl]chromene-3-carboxamide
CID 10065394
N-(4-carbamoylphenyl)-2-oxochromene-3-carboxamide
CID 717683
N-(3-methylsulfanylphenyl)-2-oxochromene-3-carboxamide
CID 2093172
N-[3-[(2-chlorobenzoyl)amino]phenyl]-2-oxochromene-3-carboxamide
CID 5346060

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylpyrimidin-5-yl)-2-oxochromene-3-carboxamide?
The IUPAC name of N-(2-ethylpyrimidin-5-yl)-2-oxochromene-3-carboxamide (CID 136516823) is N-(2-ethylpyrimidin-5-yl)-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-(2-ethylpyrimidin-5-yl)-2-oxochromene-3-carboxamide?
The canonical SMILES for N-(2-ethylpyrimidin-5-yl)-2-oxochromene-3-carboxamide is CCc1ncc(NC(=O)c2cc3ccccc3oc2=O)cn1.
What is the InChIKey of N-(2-ethylpyrimidin-5-yl)-2-oxochromene-3-carboxamide?
The InChIKey is BGXVDRFAGMOTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c1-2-14-17-8-11(9-18-14)19-15(20)12-7-10-5-3-4-6-13(10)22-16(12)21/h3-9H,2H2,1H3,(H,19,20).
What are the key properties of N-(2-ethylpyrimidin-5-yl)-2-oxochromene-3-carboxamide?
N-(2-ethylpyrimidin-5-yl)-2-oxochromene-3-carboxamide has a molecular weight of 295.30 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylpyrimidin-5-yl)-2-oxochromene-3-carboxamide is sourced from PubChem (CID 136516823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).