2-(diethylamino)-6-methyl-4-oxo-N'-(2-oxochromene-3-carbonyl)-3-phenylfuro[2,3-d]pyrimidine-5-carbohydrazide

C28H25N5O6 — CID 177381603

IUPAC2-(diethylamino)-6-methyl-4-oxo-N'-(2-oxochromene-3-carbonyl)-3-phenylfuro[2,3-d]pyrimidine-5-carbohydrazide
SMILESCCN(CC)c1nc2oc(C)c(C(=O)NNC(=O)c3cc4ccccc4oc3=O)c2c(=O)n1-c1ccccc1
InChIInChI=1S/C28H25N5O6/c1-4-32(5-2)28-29-25-22(26(36)33(28)18-12-7-6-8-13-18)21(16(3)38-25)24(35)31-30-23(34)19-15-17-11-9-10-14-20(17)39-27(19)37/h6-15H,4-5H2,1-3H3,(H,30,34)(H,31,35)
InChIKeyKQFDKOGASODFTE-UHFFFAOYSA-N
MW527.54 g/mol
LogP3.31
Rot. Bonds6

About 2-(diethylamino)-6-methyl-4-oxo-N'-(2-oxochromene-3-carbonyl)-3-phenylfuro[2,3-d]pyrimidine-5-carbohydrazide

2-(diethylamino)-6-methyl-4-oxo-N'-(2-oxochromene-3-carbonyl)-3-phenylfuro[2,3-d]pyrimidine-5-carbohydrazide (PubChem CID 177381603) has the molecular formula C28H25N5O6 and a molecular weight of 527.54 g/mol. Its IUPAC name is 2-(diethylamino)-6-methyl-4-oxo-N'-(2-oxochromene-3-carbonyl)-3-phenylfuro[2,3-d]pyrimidine-5-carbohydrazide.

Molecular Properties

Compound Name2-(diethylamino)-6-methyl-4-oxo-N'-(2-oxochromene-3-carbonyl)-3-phenylfuro[2,3-d]pyrimidine-5-carbohydrazide
PubChem CID177381603
Molecular FormulaC28H25N5O6
Molecular Weight527.54 g/mol
Exact Mass527.18
IUPAC Name2-(diethylamino)-6-methyl-4-oxo-N'-(2-oxochromene-3-carbonyl)-3-phenylfuro[2,3-d]pyrimidine-5-carbohydrazide
SMILESCCN(CC)c1nc2oc(C)c(C(=O)NNC(=O)c3cc4ccccc4oc3=O)c2c(=O)n1-c1ccccc1
InChIInChI=1S/C28H25N5O6/c1-4-32(5-2)28-29-25-22(26(36)33(28)18-12-7-6-8-13-18)21(16(3)38-25)24(35)31-30-23(34)19-15-17-11-9-10-14-20(17)39-27(19)37/h6-15H,4-5H2,1-3H3,(H,30,34)(H,31,35)
InChIKeyKQFDKOGASODFTE-UHFFFAOYSA-N
XLogP3.31
TPSA139.68 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.54
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(diethylamino)phenyl]-2-oxochromene-3-carboxamide
CID 694759
N-[2-(diethylcarbamoyl)phenyl]-2-oxochromene-3-carboxamide
CID 86835457
2-[(2-oxochromene-3-carbonyl)amino]butanoic acid
CID 43469616
3-benzyl-4-oxo-N'-(2-oxochromene-3-carbonyl)phthalazine-1-carbohydrazide
CID 4995460
2-oxo-N-(3,6,6-trimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)chromene-3-carboxamide
CID 3800061
3-[ethyl-(2-oxochromene-3-carbonyl)amino]propanoic acid
CID 61008302
[(2-oxochromene-3-carbonyl)amino]thiourea
CID 14494824
N'-[2-(3,5-dimethylphenoxy)acetyl]-2-oxochromene-3-carbohydrazide
CID 1050674
methyl N-(2-oxochromene-3-carbonyl)carbamate
CID 901757
2-oxo-N'-(3,4,5-triethoxybenzoyl)chromene-3-carbohydrazide
CID 34250417
N-(5-methyl-2-phenyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)-2-oxochromene-3-carboxamide
CID 91813609
3-[3-(1-benzofuran-2-yl)prop-2-enoyl]-7-(diethylamino)chromen-2-one
CID 88769453

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-6-methyl-4-oxo-N'-(2-oxochromene-3-carbonyl)-3-phenylfuro[2,3-d]pyrimidine-5-carbohydrazide?
The IUPAC name of 2-(diethylamino)-6-methyl-4-oxo-N'-(2-oxochromene-3-carbonyl)-3-phenylfuro[2,3-d]pyrimidine-5-carbohydrazide (CID 177381603) is 2-(diethylamino)-6-methyl-4-oxo-N'-(2-oxochromene-3-carbonyl)-3-phenylfuro[2,3-d]pyrimidine-5-carbohydrazide.
What is the SMILES notation for 2-(diethylamino)-6-methyl-4-oxo-N'-(2-oxochromene-3-carbonyl)-3-phenylfuro[2,3-d]pyrimidine-5-carbohydrazide?
The canonical SMILES for 2-(diethylamino)-6-methyl-4-oxo-N'-(2-oxochromene-3-carbonyl)-3-phenylfuro[2,3-d]pyrimidine-5-carbohydrazide is CCN(CC)c1nc2oc(C)c(C(=O)NNC(=O)c3cc4ccccc4oc3=O)c2c(=O)n1-c1ccccc1.
What is the InChIKey of 2-(diethylamino)-6-methyl-4-oxo-N'-(2-oxochromene-3-carbonyl)-3-phenylfuro[2,3-d]pyrimidine-5-carbohydrazide?
The InChIKey is KQFDKOGASODFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N5O6/c1-4-32(5-2)28-29-25-22(26(36)33(28)18-12-7-6-8-13-18)21(16(3)38-25)24(35)31-30-23(34)19-15-17-11-9-10-14-20(17)39-27(19)37/h6-15H,4-5H2,1-3H3,(H,30,34)(H,31,35).
What are the key properties of 2-(diethylamino)-6-methyl-4-oxo-N'-(2-oxochromene-3-carbonyl)-3-phenylfuro[2,3-d]pyrimidine-5-carbohydrazide?
2-(diethylamino)-6-methyl-4-oxo-N'-(2-oxochromene-3-carbonyl)-3-phenylfuro[2,3-d]pyrimidine-5-carbohydrazide has a molecular weight of 527.54 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-6-methyl-4-oxo-N'-(2-oxochromene-3-carbonyl)-3-phenylfuro[2,3-d]pyrimidine-5-carbohydrazide is sourced from PubChem (CID 177381603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).