3-[3-(pyridin-3-ylamino)phenyl]prop-1-en-1-one

C14H12N2O — CID 91393664

IUPAC3-[3-(pyridin-3-ylamino)phenyl]prop-1-en-1-one
SMILESO=C=CCc1cccc(Nc2cccnc2)c1
InChIInChI=1S/C14H12N2O/c17-9-3-5-12-4-1-6-13(10-12)16-14-7-2-8-15-11-14/h1-4,6-8,10-11,16H,5H2
InChIKeyDACVQOKUYBAILL-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.76
Rot. Bonds4

About 3-[3-(pyridin-3-ylamino)phenyl]prop-1-en-1-one

3-[3-(pyridin-3-ylamino)phenyl]prop-1-en-1-one (PubChem CID 91393664) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-[3-(pyridin-3-ylamino)phenyl]prop-1-en-1-one.

Molecular Properties

Compound Name3-[3-(pyridin-3-ylamino)phenyl]prop-1-en-1-one
PubChem CID91393664
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name3-[3-(pyridin-3-ylamino)phenyl]prop-1-en-1-one
SMILESO=C=CCc1cccc(Nc2cccnc2)c1
InChIInChI=1S/C14H12N2O/c17-9-3-5-12-4-1-6-13(10-12)16-14-7-2-8-15-11-14/h1-4,6-8,10-11,16H,5H2
InChIKeyDACVQOKUYBAILL-UHFFFAOYSA-N
XLogP2.76
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2,2-dipyridin-3-ylethyl)phenyl]pyridin-3-amine
CID 16662604
3-N,3-N-dimethyl-1-N-pyridin-3-ylbenzene-1,3-diamine
CID 82537509
N-(3,4-dimethylphenyl)pyridin-3-amine
CID 82537517
N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 13304847
4-(pyridin-3-ylamino)pyridine-2-carboxylic acid
CID 43143000
N-[3-(1,3-dioxol-2-yl)phenyl]pyridin-3-amine
CID 141070937
[3-(pyridin-3-ylmethyl)phenyl]hydrazine
CID 14987069
N-[[4-(pyridin-3-ylamino)phenyl]methyl]hydroxylamine
CID 166062269
N-pyridin-3-ylpyrimidin-2-amine
CID 11593513
N-[2-(4-methoxyphenyl)ethyl]-3-(pyridin-3-ylamino)benzamide
CID 117087950
N-[3-(1,3-dioxolan-2-yl)phenyl]pyridin-3-amine
CID 21071445
2-fluoro-5-(pyridin-3-ylamino)benzoic acid
CID 82537495

Frequently Asked Questions

What is the IUPAC name of 3-[3-(pyridin-3-ylamino)phenyl]prop-1-en-1-one?
The IUPAC name of 3-[3-(pyridin-3-ylamino)phenyl]prop-1-en-1-one (CID 91393664) is 3-[3-(pyridin-3-ylamino)phenyl]prop-1-en-1-one.
What is the SMILES notation for 3-[3-(pyridin-3-ylamino)phenyl]prop-1-en-1-one?
The canonical SMILES for 3-[3-(pyridin-3-ylamino)phenyl]prop-1-en-1-one is O=C=CCc1cccc(Nc2cccnc2)c1.
What is the InChIKey of 3-[3-(pyridin-3-ylamino)phenyl]prop-1-en-1-one?
The InChIKey is DACVQOKUYBAILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c17-9-3-5-12-4-1-6-13(10-12)16-14-7-2-8-15-11-14/h1-4,6-8,10-11,16H,5H2.
What are the key properties of 3-[3-(pyridin-3-ylamino)phenyl]prop-1-en-1-one?
3-[3-(pyridin-3-ylamino)phenyl]prop-1-en-1-one has a molecular weight of 224.26 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(pyridin-3-ylamino)phenyl]prop-1-en-1-one is sourced from PubChem (CID 91393664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).