N-[(4-nitrophenyl)methylideneamino]-4,6-diphenylpyrimidine-2-carboxamide

C24H17N5O3 — CID 4230749

IUPACN-[(4-nitrophenyl)methylideneamino]-4,6-diphenylpyrimidine-2-carboxamide
SMILESO=C(NN=Cc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccccc2)cc(-c2ccccc2)n1
InChIInChI=1S/C24H17N5O3/c30-24(28-25-16-17-11-13-20(14-12-17)29(31)32)23-26-21(18-7-3-1-4-8-18)15-22(27-23)19-9-5-2-6-10-19/h1-16H,(H,28,30)
InChIKeyONNFDHOYNBLMPN-UHFFFAOYSA-N
MW423.43 g/mol
LogP4.48
Rot. Bonds6

About N-[(4-nitrophenyl)methylideneamino]-4,6-diphenylpyrimidine-2-carboxamide

N-[(4-nitrophenyl)methylideneamino]-4,6-diphenylpyrimidine-2-carboxamide (PubChem CID 4230749) has the molecular formula C24H17N5O3 and a molecular weight of 423.43 g/mol. Its IUPAC name is N-[(4-nitrophenyl)methylideneamino]-4,6-diphenylpyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-nitrophenyl)methylideneamino]-4,6-diphenylpyrimidine-2-carboxamide
PubChem CID4230749
Molecular FormulaC24H17N5O3
Molecular Weight423.43 g/mol
Exact Mass423.13
IUPAC NameN-[(4-nitrophenyl)methylideneamino]-4,6-diphenylpyrimidine-2-carboxamide
SMILESO=C(NN=Cc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccccc2)cc(-c2ccccc2)n1
InChIInChI=1S/C24H17N5O3/c30-24(28-25-16-17-11-13-20(14-12-17)29(31)32)23-26-21(18-7-3-1-4-8-18)15-22(27-23)19-9-5-2-6-10-19/h1-16H,(H,28,30)
InChIKeyONNFDHOYNBLMPN-UHFFFAOYSA-N
XLogP4.48
TPSA110.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.43
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4,6-diphenyl-N-(pyridin-3-ylmethylideneamino)pyrimidine-2-carboxamide
CID 1381235
4-methyl-N-[(Z)-(4-nitrophenyl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
CID 5402486
N-[(Z)-(4-nitrophenyl)methylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 8880953
N-(benzylideneamino)-5-nitro-1H-1,2,4-triazole-3-carboxamide
CID 135414804
N,N'-bis[(Z)-(4-nitrophenyl)methylideneamino]oxamide
CID 6163815
N-[(Z)-(4-nitrophenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 5418856
3-(4-chlorophenyl)-N-[(E)-(4-nitrophenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 5342962
2-hydroxy-N-[(E)-(4-nitrophenyl)methylideneamino]-2,2-diphenylacetamide
CID 6881941
2-amino-N-[(Z)-(4-nitrophenyl)methylideneamino]benzamide
CID 5407743
N-[(E)-(3-nitrophenyl)methylideneamino]-4-phenylbenzamide
CID 6897881
N-[(E)-benzylideneamino]-5-nitro-1-benzofuran-2-carboxamide
CID 121005396
N-[(Z)-(4-nitrophenyl)methylideneamino]-2-(4-phenylphenoxy)acetamide
CID 6002004

Frequently Asked Questions

What is the IUPAC name of N-[(4-nitrophenyl)methylideneamino]-4,6-diphenylpyrimidine-2-carboxamide?
The IUPAC name of N-[(4-nitrophenyl)methylideneamino]-4,6-diphenylpyrimidine-2-carboxamide (CID 4230749) is N-[(4-nitrophenyl)methylideneamino]-4,6-diphenylpyrimidine-2-carboxamide.
What is the SMILES notation for N-[(4-nitrophenyl)methylideneamino]-4,6-diphenylpyrimidine-2-carboxamide?
The canonical SMILES for N-[(4-nitrophenyl)methylideneamino]-4,6-diphenylpyrimidine-2-carboxamide is O=C(NN=Cc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccccc2)cc(-c2ccccc2)n1.
What is the InChIKey of N-[(4-nitrophenyl)methylideneamino]-4,6-diphenylpyrimidine-2-carboxamide?
The InChIKey is ONNFDHOYNBLMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N5O3/c30-24(28-25-16-17-11-13-20(14-12-17)29(31)32)23-26-21(18-7-3-1-4-8-18)15-22(27-23)19-9-5-2-6-10-19/h1-16H,(H,28,30).
What are the key properties of N-[(4-nitrophenyl)methylideneamino]-4,6-diphenylpyrimidine-2-carboxamide?
N-[(4-nitrophenyl)methylideneamino]-4,6-diphenylpyrimidine-2-carboxamide has a molecular weight of 423.43 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-nitrophenyl)methylideneamino]-4,6-diphenylpyrimidine-2-carboxamide is sourced from PubChem (CID 4230749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).