4,6-diphenyl-N-(pyridin-3-ylmethylideneamino)pyrimidine-2-carboxamide

C23H17N5O — CID 1381235

IUPAC4,6-diphenyl-N-(pyridin-3-ylmethylideneamino)pyrimidine-2-carboxamide
SMILESO=C(NN=Cc1cccnc1)c1nc(-c2ccccc2)cc(-c2ccccc2)n1
InChIInChI=1S/C23H17N5O/c29-23(28-25-16-17-8-7-13-24-15-17)22-26-20(18-9-3-1-4-10-18)14-21(27-22)19-11-5-2-6-12-19/h1-16H,(H,28,29)
InChIKeyWQQWBFCRBOOHJE-UHFFFAOYSA-N
MW379.42 g/mol
LogP3.97
Rot. Bonds5

About 4,6-diphenyl-N-(pyridin-3-ylmethylideneamino)pyrimidine-2-carboxamide

4,6-diphenyl-N-(pyridin-3-ylmethylideneamino)pyrimidine-2-carboxamide (PubChem CID 1381235) has the molecular formula C23H17N5O and a molecular weight of 379.42 g/mol. Its IUPAC name is 4,6-diphenyl-N-(pyridin-3-ylmethylideneamino)pyrimidine-2-carboxamide.

Molecular Properties

Compound Name4,6-diphenyl-N-(pyridin-3-ylmethylideneamino)pyrimidine-2-carboxamide
PubChem CID1381235
Molecular FormulaC23H17N5O
Molecular Weight379.42 g/mol
Exact Mass379.14
IUPAC Name4,6-diphenyl-N-(pyridin-3-ylmethylideneamino)pyrimidine-2-carboxamide
SMILESO=C(NN=Cc1cccnc1)c1nc(-c2ccccc2)cc(-c2ccccc2)n1
InChIInChI=1S/C23H17N5O/c29-23(28-25-16-17-8-7-13-24-15-17)22-26-20(18-9-3-1-4-10-18)14-21(27-22)19-11-5-2-6-12-19/h1-16H,(H,28,29)
InChIKeyWQQWBFCRBOOHJE-UHFFFAOYSA-N
XLogP3.97
TPSA80.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(4-phenylphenyl)-N-(pyridin-3-ylmethylideneamino)-1H-pyrazole-5-carboxamide
CID 1128550
1,5-diphenyl-N-[(Z)-pyridin-3-ylmethylideneamino]-1,2,4-triazole-3-carboxamide
CID 29227850
N-[(4-nitrophenyl)methylideneamino]-4,6-diphenylpyrimidine-2-carboxamide
CID 4230749
2-(4-methoxyphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]quinoline-4-carboxamide
CID 25237207
4-methyl-3-phenyl-N-(pyridin-3-ylmethylideneamino)-1H-pyrazole-5-carboxamide
CID 3491644
2-phenyl-N-(pyridin-3-ylmethylideneamino)-1H-indole-7-carboxamide
CID 3532877
2-N,5-N-bis(pyridin-3-ylmethylideneamino)furan-2,5-dicarboxamide
CID 4674781
N-[(E)-pyridin-3-ylmethylideneamino]pyridine-2-carboxamide
CID 6870358
3-amino-4-(furan-2-yl)-6-phenyl-N-(pyridin-3-ylmethylideneamino)furo[2,3-b]pyridine-2-carboxamide
CID 2816119
2-(4-ethoxyphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]quinoline-4-carboxamide
CID 25237208
N-[(Z)-(3-chlorophenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 9078588
5,7-dimethyl-N-(pyridin-3-ylmethylideneamino)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 725033

Frequently Asked Questions

What is the IUPAC name of 4,6-diphenyl-N-(pyridin-3-ylmethylideneamino)pyrimidine-2-carboxamide?
The IUPAC name of 4,6-diphenyl-N-(pyridin-3-ylmethylideneamino)pyrimidine-2-carboxamide (CID 1381235) is 4,6-diphenyl-N-(pyridin-3-ylmethylideneamino)pyrimidine-2-carboxamide.
What is the SMILES notation for 4,6-diphenyl-N-(pyridin-3-ylmethylideneamino)pyrimidine-2-carboxamide?
The canonical SMILES for 4,6-diphenyl-N-(pyridin-3-ylmethylideneamino)pyrimidine-2-carboxamide is O=C(NN=Cc1cccnc1)c1nc(-c2ccccc2)cc(-c2ccccc2)n1.
What is the InChIKey of 4,6-diphenyl-N-(pyridin-3-ylmethylideneamino)pyrimidine-2-carboxamide?
The InChIKey is WQQWBFCRBOOHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5O/c29-23(28-25-16-17-8-7-13-24-15-17)22-26-20(18-9-3-1-4-10-18)14-21(27-22)19-11-5-2-6-12-19/h1-16H,(H,28,29).
What are the key properties of 4,6-diphenyl-N-(pyridin-3-ylmethylideneamino)pyrimidine-2-carboxamide?
4,6-diphenyl-N-(pyridin-3-ylmethylideneamino)pyrimidine-2-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diphenyl-N-(pyridin-3-ylmethylideneamino)pyrimidine-2-carboxamide is sourced from PubChem (CID 1381235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).