N'-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-phenylbenzohydrazide

C19H18N4O3 — CID 2145329

IUPACN'-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-phenylbenzohydrazide
SMILESCn1c(NNC(=O)c2ccc(-c3ccccc3)cc2)cc(=O)n(C)c1=O
InChIInChI=1S/C19H18N4O3/c1-22-16(12-17(24)23(2)19(22)26)20-21-18(25)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-12,20H,1-2H3,(H,21,25)
InChIKeySERCZOPJCZIXLV-UHFFFAOYSA-N
MW350.38 g/mol
LogP1.51
Rot. Bonds4

About N'-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-phenylbenzohydrazide

N'-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-phenylbenzohydrazide (PubChem CID 2145329) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is N'-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-phenylbenzohydrazide.

Molecular Properties

Compound NameN'-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-phenylbenzohydrazide
PubChem CID2145329
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC NameN'-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-phenylbenzohydrazide
SMILESCn1c(NNC(=O)c2ccc(-c3ccccc3)cc2)cc(=O)n(C)c1=O
InChIInChI=1S/C19H18N4O3/c1-22-16(12-17(24)23(2)19(22)26)20-21-18(25)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-12,20H,1-2H3,(H,21,25)
InChIKeySERCZOPJCZIXLV-UHFFFAOYSA-N
XLogP1.51
TPSA85.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N'-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)benzohydrazide
CID 43935375
N'-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-(trifluoromethyl)benzohydrazide
CID 43935386
N'-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-ethoxybenzohydrazide
CID 2145310
2-chloro-N'-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-6-fluorobenzohydrazide
CID 2145322
1,3-dimethyl-6-[(2Z)-2-(1-phenylethylidene)hydrazinyl]pyrimidine-2,4-dione
CID 134923438
5-chloro-N'-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-methoxybenzohydrazide
CID 2145324
N-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]-N'-phenylmethanimidamide
CID 13081759
[2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]-2-oxoethyl] benzoate
CID 23907176
3-methyl-N'-(4-phenylbenzoyl)benzohydrazide
CID 828309
N'-[2-(2-oxo-1-pyridinyl)acetyl]-4-phenylbenzohydrazide
CID 9077512
1,3-dimethyl-6-(1-phenylethylamino)pyrimidine-2,4-dione
CID 2865923
N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-phenylbutanamide
CID 2148511

Frequently Asked Questions

What is the IUPAC name of N'-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-phenylbenzohydrazide?
The IUPAC name of N'-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-phenylbenzohydrazide (CID 2145329) is N'-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-phenylbenzohydrazide.
What is the SMILES notation for N'-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-phenylbenzohydrazide?
The canonical SMILES for N'-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-phenylbenzohydrazide is Cn1c(NNC(=O)c2ccc(-c3ccccc3)cc2)cc(=O)n(C)c1=O.
What is the InChIKey of N'-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-phenylbenzohydrazide?
The InChIKey is SERCZOPJCZIXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-22-16(12-17(24)23(2)19(22)26)20-21-18(25)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-12,20H,1-2H3,(H,21,25).
What are the key properties of N'-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-phenylbenzohydrazide?
N'-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-phenylbenzohydrazide has a molecular weight of 350.38 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-phenylbenzohydrazide is sourced from PubChem (CID 2145329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).