6-[2-[4-(dimethylamino)phenyl]ethenyl]pyridine-3-carboxamide

C16H17N3O — CID 175885457

IUPAC6-[2-[4-(dimethylamino)phenyl]ethenyl]pyridine-3-carboxamide
SMILESCN(C)c1ccc(C=Cc2ccc(C(N)=O)cn2)cc1
InChIInChI=1S/C16H17N3O/c1-19(2)15-9-4-12(5-10-15)3-7-14-8-6-13(11-18-14)16(17)20/h3-11H,1-2H3,(H2,17,20)
InChIKeyFBRWMCKZWATIAJ-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.42
Rot. Bonds4

About 6-[2-[4-(dimethylamino)phenyl]ethenyl]pyridine-3-carboxamide

6-[2-[4-(dimethylamino)phenyl]ethenyl]pyridine-3-carboxamide (PubChem CID 175885457) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 6-[2-[4-(dimethylamino)phenyl]ethenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[2-[4-(dimethylamino)phenyl]ethenyl]pyridine-3-carboxamide
PubChem CID175885457
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name6-[2-[4-(dimethylamino)phenyl]ethenyl]pyridine-3-carboxamide
SMILESCN(C)c1ccc(C=Cc2ccc(C(N)=O)cn2)cc1
InChIInChI=1S/C16H17N3O/c1-19(2)15-9-4-12(5-10-15)3-7-14-8-6-13(11-18-14)16(17)20/h3-11H,1-2H3,(H2,17,20)
InChIKeyFBRWMCKZWATIAJ-UHFFFAOYSA-N
XLogP2.42
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Related Compounds

4-[(E)-2-[5-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]pyrazin-2-yl]ethenyl]-N,N-dimethylaniline
CID 50936651
4-[(Z)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline
CID 92530704
(E)-1-(6-bromo-3-pyridinyl)-3-[4-(dimethylamino)phenyl]prop-2-en-1-one
CID 86647091
[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-phenylmethanone
CID 132506208
methyl 6-[(E)-2-(4-methoxyphenyl)ethenyl]pyridine-3-carboxylate
CID 11129341
4-[(E)-2-[6-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]pyrimidin-4-yl]ethenyl]-N,N-dimethylaniline
CID 42643531
1-(4-acetylphenyl)-3-[4-(dimethylamino)phenyl]prop-2-en-1-one
CID 54081222
4-[2-[4-(dimethylamino)phenyl]ethenyl]-1,3-thiazol-2-amine
CID 164769574
(E)-1-[4-(dimethylamino)phenyl]-3-phenylprop-2-en-1-one
CID 5356057
4-N-[4-[(E)-2-[4-[(E)-2-[4-[4-(dimethylamino)-N-[4-(dimethylamino)phenyl]anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-4-N-[4-(dimethylamino)phenyl]-1-N,1-N-dimethylbenzene-1,4-diamine
CID 166784252
3-[4-(dimethylamino)phenyl]prop-2-enethioamide
CID 71356638
(E)-1-[4-(2-aminoethoxy)phenyl]-3-[4-(dimethylamino)phenyl]prop-2-en-1-one
CID 102366350

Frequently Asked Questions

What is the IUPAC name of 6-[2-[4-(dimethylamino)phenyl]ethenyl]pyridine-3-carboxamide?
The IUPAC name of 6-[2-[4-(dimethylamino)phenyl]ethenyl]pyridine-3-carboxamide (CID 175885457) is 6-[2-[4-(dimethylamino)phenyl]ethenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[2-[4-(dimethylamino)phenyl]ethenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-[2-[4-(dimethylamino)phenyl]ethenyl]pyridine-3-carboxamide is CN(C)c1ccc(C=Cc2ccc(C(N)=O)cn2)cc1.
What is the InChIKey of 6-[2-[4-(dimethylamino)phenyl]ethenyl]pyridine-3-carboxamide?
The InChIKey is FBRWMCKZWATIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-19(2)15-9-4-12(5-10-15)3-7-14-8-6-13(11-18-14)16(17)20/h3-11H,1-2H3,(H2,17,20).
What are the key properties of 6-[2-[4-(dimethylamino)phenyl]ethenyl]pyridine-3-carboxamide?
6-[2-[4-(dimethylamino)phenyl]ethenyl]pyridine-3-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[4-(dimethylamino)phenyl]ethenyl]pyridine-3-carboxamide is sourced from PubChem (CID 175885457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).