5-[3-(1-amino-3-benzyliminoprop-1-enyl)phenyl]pyridine-3-carboxamide

C22H20N4O — CID 174087173

IUPAC5-[3-(1-amino-3-benzyliminoprop-1-enyl)phenyl]pyridine-3-carboxamide
SMILESNC(=O)c1cncc(-c2cccc(C(N)=C/C=N/Cc3ccccc3)c2)c1
InChIInChI=1S/C22H20N4O/c23-21(9-10-25-13-16-5-2-1-3-6-16)18-8-4-7-17(11-18)19-12-20(22(24)27)15-26-14-19/h1-12,14-15H,13,23H2,(H2,24,27)/b21-9?,25-10+
InChIKeyKKJJFZQDZMQBHV-LOBHKZOMSA-N
MW356.43 g/mol
LogP3.42
Rot. Bonds6

About 5-[3-(1-amino-3-benzyliminoprop-1-enyl)phenyl]pyridine-3-carboxamide

5-[3-(1-amino-3-benzyliminoprop-1-enyl)phenyl]pyridine-3-carboxamide (PubChem CID 174087173) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is 5-[3-(1-amino-3-benzyliminoprop-1-enyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[3-(1-amino-3-benzyliminoprop-1-enyl)phenyl]pyridine-3-carboxamide
PubChem CID174087173
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC Name5-[3-(1-amino-3-benzyliminoprop-1-enyl)phenyl]pyridine-3-carboxamide
SMILESNC(=O)c1cncc(-c2cccc(C(N)=C/C=N/Cc3ccccc3)c2)c1
InChIInChI=1S/C22H20N4O/c23-21(9-10-25-13-16-5-2-1-3-6-16)18-8-4-7-17(11-18)19-12-20(22(24)27)15-26-14-19/h1-12,14-15H,13,23H2,(H2,24,27)/b21-9?,25-10+
InChIKeyKKJJFZQDZMQBHV-LOBHKZOMSA-N
XLogP3.42
TPSA94.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-benzylimino-1-(3-bromophenyl)prop-1-en-1-amine
CID 174087166
5-(3-fluorophenyl)pyridine-3-carboxamide
CID 71303502
5-[3-(2-methylphenyl)phenyl]pyridine-3-carboxamide
CID 142945914
N'-benzyl-3-phenylbenzenecarboximidamide
CID 142527130
5-[3-(1H-pyrazol-5-yl)phenyl]pyridine-3-carboxamide
CID 30877174
3-phenylbenzamide;(3-phenylphenyl)methanamine;dihydrochloride
CID 154810020
5-[3-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 68844060
3-pyridin-3-ylbenzamide;hydrochloride
CID 175813431
N'-(benzyliminomethyl)benzenecarboximidamide
CID 118508894
5-(4-fluorophenyl)pyridine-3-carboxamide
CID 71303524
ethane;(1Z)-4-methyl-1-(3-phenylphenyl)penta-1,3-dien-1-amine
CID 145000931
N-benzyl-5-(3-fluorophenyl)pyridine-3-carboxamide
CID 42845762

Frequently Asked Questions

What is the IUPAC name of 5-[3-(1-amino-3-benzyliminoprop-1-enyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 5-[3-(1-amino-3-benzyliminoprop-1-enyl)phenyl]pyridine-3-carboxamide (CID 174087173) is 5-[3-(1-amino-3-benzyliminoprop-1-enyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-[3-(1-amino-3-benzyliminoprop-1-enyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 5-[3-(1-amino-3-benzyliminoprop-1-enyl)phenyl]pyridine-3-carboxamide is NC(=O)c1cncc(-c2cccc(C(N)=C/C=N/Cc3ccccc3)c2)c1.
What is the InChIKey of 5-[3-(1-amino-3-benzyliminoprop-1-enyl)phenyl]pyridine-3-carboxamide?
The InChIKey is KKJJFZQDZMQBHV-LOBHKZOMSA-N. The full InChI is InChI=1S/C22H20N4O/c23-21(9-10-25-13-16-5-2-1-3-6-16)18-8-4-7-17(11-18)19-12-20(22(24)27)15-26-14-19/h1-12,14-15H,13,23H2,(H2,24,27)/b21-9?,25-10+.
What are the key properties of 5-[3-(1-amino-3-benzyliminoprop-1-enyl)phenyl]pyridine-3-carboxamide?
5-[3-(1-amino-3-benzyliminoprop-1-enyl)phenyl]pyridine-3-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(1-amino-3-benzyliminoprop-1-enyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 174087173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).