N-(1,3-diphenylpropan-2-ylideneamino)pyridine-4-carboxamide

C21H19N3O — CID 757999

IUPACN-(1,3-diphenylpropan-2-ylideneamino)pyridine-4-carboxamide
SMILESO=C(NN=C(Cc1ccccc1)Cc1ccccc1)c1ccncc1
InChIInChI=1S/C21H19N3O/c25-21(19-11-13-22-14-12-19)24-23-20(15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18/h1-14H,15-16H2,(H,24,25)
InChIKeyNCFANXGRONSQTN-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.65
Rot. Bonds6

About N-(1,3-diphenylpropan-2-ylideneamino)pyridine-4-carboxamide

N-(1,3-diphenylpropan-2-ylideneamino)pyridine-4-carboxamide (PubChem CID 757999) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is N-(1,3-diphenylpropan-2-ylideneamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-diphenylpropan-2-ylideneamino)pyridine-4-carboxamide
PubChem CID757999
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC NameN-(1,3-diphenylpropan-2-ylideneamino)pyridine-4-carboxamide
SMILESO=C(NN=C(Cc1ccccc1)Cc1ccccc1)c1ccncc1
InChIInChI=1S/C21H19N3O/c25-21(19-11-13-22-14-12-19)24-23-20(15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18/h1-14H,15-16H2,(H,24,25)
InChIKeyNCFANXGRONSQTN-UHFFFAOYSA-N
XLogP3.65
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of N-(1,3-diphenylpropan-2-ylideneamino)pyridine-4-carboxamide?
The IUPAC name of N-(1,3-diphenylpropan-2-ylideneamino)pyridine-4-carboxamide (CID 757999) is N-(1,3-diphenylpropan-2-ylideneamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(1,3-diphenylpropan-2-ylideneamino)pyridine-4-carboxamide?
The canonical SMILES for N-(1,3-diphenylpropan-2-ylideneamino)pyridine-4-carboxamide is O=C(NN=C(Cc1ccccc1)Cc1ccccc1)c1ccncc1.
What is the InChIKey of N-(1,3-diphenylpropan-2-ylideneamino)pyridine-4-carboxamide?
The InChIKey is NCFANXGRONSQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O/c25-21(19-11-13-22-14-12-19)24-23-20(15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18/h1-14H,15-16H2,(H,24,25).
What are the key properties of N-(1,3-diphenylpropan-2-ylideneamino)pyridine-4-carboxamide?
N-(1,3-diphenylpropan-2-ylideneamino)pyridine-4-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-diphenylpropan-2-ylideneamino)pyridine-4-carboxamide is sourced from PubChem (CID 757999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).