5-(N-benzylanilino)-N-prop-2-enylpyridine-3-carboxamide

C22H21N3O — CID 109224105

IUPAC5-(N-benzylanilino)-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCNC(=O)c1cncc(N(Cc2ccccc2)c2ccccc2)c1
InChIInChI=1S/C22H21N3O/c1-2-13-24-22(26)19-14-21(16-23-15-19)25(20-11-7-4-8-12-20)17-18-9-5-3-6-10-18/h2-12,14-16H,1,13,17H2,(H,24,26)
InChIKeyAKBUQTOVKXIFRL-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.34
Rot. Bonds7

About 5-(N-benzylanilino)-N-prop-2-enylpyridine-3-carboxamide

5-(N-benzylanilino)-N-prop-2-enylpyridine-3-carboxamide (PubChem CID 109224105) has the molecular formula C22H21N3O and a molecular weight of 343.43 g/mol. Its IUPAC name is 5-(N-benzylanilino)-N-prop-2-enylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-(N-benzylanilino)-N-prop-2-enylpyridine-3-carboxamide
PubChem CID109224105
Molecular FormulaC22H21N3O
Molecular Weight343.43 g/mol
Exact Mass343.17
IUPAC Name5-(N-benzylanilino)-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCNC(=O)c1cncc(N(Cc2ccccc2)c2ccccc2)c1
InChIInChI=1S/C22H21N3O/c1-2-13-24-22(26)19-14-21(16-23-15-19)25(20-11-7-4-8-12-20)17-18-9-5-3-6-10-18/h2-12,14-16H,1,13,17H2,(H,24,26)
InChIKeyAKBUQTOVKXIFRL-UHFFFAOYSA-N
XLogP4.34
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(N-benzylanilino)-N-butylpyridine-3-carboxamide
CID 109224497
3-N-(2-phenylethyl)-5-N-prop-2-enylpyridine-3,5-dicarboxamide
CID 109101755
5-anilino-N-prop-2-enylpyridine-3-carboxamide
CID 109224036
N-benzyl-5-(N-ethylanilino)pyridine-3-carboxamide
CID 109231703
5-(N-benzylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide
CID 109246079
5-(N-benzylanilino)-N-butyl-N-methylpyridine-3-carboxamide
CID 109240320
5-N-(2-methylphenyl)-3-N-prop-2-enylpyridine-3,5-dicarboxamide
CID 109101805
5-(N-methylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109235813
5-(N-ethylanilino)-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 109231367
5-[(3-methylphenyl)methylamino]-N-prop-2-enylpyridine-3-carboxamide
CID 109223971
5-[4-(diethylamino)anilino]-N-prop-2-enylpyridine-3-carboxamide
CID 109224099
5-[benzyl(methyl)amino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109233157

Frequently Asked Questions

What is the IUPAC name of 5-(N-benzylanilino)-N-prop-2-enylpyridine-3-carboxamide?
The IUPAC name of 5-(N-benzylanilino)-N-prop-2-enylpyridine-3-carboxamide (CID 109224105) is 5-(N-benzylanilino)-N-prop-2-enylpyridine-3-carboxamide.
What is the SMILES notation for 5-(N-benzylanilino)-N-prop-2-enylpyridine-3-carboxamide?
The canonical SMILES for 5-(N-benzylanilino)-N-prop-2-enylpyridine-3-carboxamide is C=CCNC(=O)c1cncc(N(Cc2ccccc2)c2ccccc2)c1.
What is the InChIKey of 5-(N-benzylanilino)-N-prop-2-enylpyridine-3-carboxamide?
The InChIKey is AKBUQTOVKXIFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O/c1-2-13-24-22(26)19-14-21(16-23-15-19)25(20-11-7-4-8-12-20)17-18-9-5-3-6-10-18/h2-12,14-16H,1,13,17H2,(H,24,26).
What are the key properties of 5-(N-benzylanilino)-N-prop-2-enylpyridine-3-carboxamide?
5-(N-benzylanilino)-N-prop-2-enylpyridine-3-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(N-benzylanilino)-N-prop-2-enylpyridine-3-carboxamide is sourced from PubChem (CID 109224105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).