N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-2-oxochromene-3-carboxamide

C19H17N3O4 — CID 121119929

IUPACN-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-2-oxochromene-3-carboxamide
SMILESO=C(NCCn1cnc(C2CC2)cc1=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C19H17N3O4/c23-17-10-15(12-5-6-12)21-11-22(17)8-7-20-18(24)14-9-13-3-1-2-4-16(13)26-19(14)25/h1-4,9-12H,5-8H2,(H,20,24)
InChIKeyHCVJACNHLKBMOW-UHFFFAOYSA-N
MW351.36 g/mol
LogP1.66
Rot. Bonds5

About N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-2-oxochromene-3-carboxamide

N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-2-oxochromene-3-carboxamide (PubChem CID 121119929) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-2-oxochromene-3-carboxamide
PubChem CID121119929
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC NameN-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-2-oxochromene-3-carboxamide
SMILESO=C(NCCn1cnc(C2CC2)cc1=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C19H17N3O4/c23-17-10-15(12-5-6-12)21-11-22(17)8-7-20-18(24)14-9-13-3-1-2-4-16(13)26-19(14)25/h1-4,9-12H,5-8H2,(H,20,24)
InChIKeyHCVJACNHLKBMOW-UHFFFAOYSA-N
XLogP1.66
TPSA94.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-1-benzofuran-2-carboxamide
CID 121120373
N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-2-oxochromene-3-carboxamide
CID 90516061
N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-8-ethoxy-2-oxochromene-3-carboxamide
CID 121120267
N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-oxochromene-3-carboxamide
CID 71807757
N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]pyridine-2-carboxamide
CID 119099474
N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 119099471
6-bromo-2-oxo-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]chromene-3-carboxamide
CID 90515535
N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 121120374
N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-2,2-diphenylacetamide
CID 121120062
N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 119099491
N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-2-phenyltriazole-4-carboxamide
CID 121120018
3,4-dichloro-N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]benzamide
CID 121119964

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-2-oxochromene-3-carboxamide?
The IUPAC name of N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-2-oxochromene-3-carboxamide (CID 121119929) is N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-2-oxochromene-3-carboxamide?
The canonical SMILES for N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-2-oxochromene-3-carboxamide is O=C(NCCn1cnc(C2CC2)cc1=O)c1cc2ccccc2oc1=O.
What is the InChIKey of N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-2-oxochromene-3-carboxamide?
The InChIKey is HCVJACNHLKBMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4/c23-17-10-15(12-5-6-12)21-11-22(17)8-7-20-18(24)14-9-13-3-1-2-4-16(13)26-19(14)25/h1-4,9-12H,5-8H2,(H,20,24).
What are the key properties of N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-2-oxochromene-3-carboxamide?
N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-2-oxochromene-3-carboxamide has a molecular weight of 351.36 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-2-oxochromene-3-carboxamide is sourced from PubChem (CID 121119929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).