N-(2-phenylethyl)-4-(prop-2-enylamino)pyridine-2-carboxamide

C17H19N3O — CID 109202307

IUPACN-(2-phenylethyl)-4-(prop-2-enylamino)pyridine-2-carboxamide
SMILESC=CCNc1ccnc(C(=O)NCCc2ccccc2)c1
InChIInChI=1S/C17H19N3O/c1-2-10-18-15-9-12-19-16(13-15)17(21)20-11-8-14-6-4-3-5-7-14/h2-7,9,12-13H,1,8,10-11H2,(H,18,19)(H,20,21)
InChIKeyYBGWHSVMIFGFBF-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.65
Rot. Bonds7

About N-(2-phenylethyl)-4-(prop-2-enylamino)pyridine-2-carboxamide

N-(2-phenylethyl)-4-(prop-2-enylamino)pyridine-2-carboxamide (PubChem CID 109202307) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is N-(2-phenylethyl)-4-(prop-2-enylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-4-(prop-2-enylamino)pyridine-2-carboxamide
PubChem CID109202307
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC NameN-(2-phenylethyl)-4-(prop-2-enylamino)pyridine-2-carboxamide
SMILESC=CCNc1ccnc(C(=O)NCCc2ccccc2)c1
InChIInChI=1S/C17H19N3O/c1-2-10-18-15-9-12-19-16(13-15)17(21)20-11-8-14-6-4-3-5-7-14/h2-7,9,12-13H,1,8,10-11H2,(H,18,19)(H,20,21)
InChIKeyYBGWHSVMIFGFBF-UHFFFAOYSA-N
XLogP2.65
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-phenylethyl)-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109213524
2-N-(2-phenylethyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109078831
4-[2-(4-fluorophenyl)ethylamino]-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109213527
N-(2-phenylethyl)-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109213383
N-ethyl-4-(prop-2-enylamino)pyridine-2-carboxamide
CID 62142219
N-pentyl-4-(prop-2-enylamino)pyridine-2-carboxamide
CID 109202346
N-[2-(cyclohexen-1-yl)ethyl]-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109205458
4-[2-(4-fluorophenyl)ethylamino]-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109214186
2-N-(3-phenylpropyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109078863
N-[2-(4-fluorophenyl)ethyl]-4-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109214099
N-[3-(dimethylamino)propyl]-4-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109207769
N-(4-chlorophenyl)-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109213688

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-4-(prop-2-enylamino)pyridine-2-carboxamide?
The IUPAC name of N-(2-phenylethyl)-4-(prop-2-enylamino)pyridine-2-carboxamide (CID 109202307) is N-(2-phenylethyl)-4-(prop-2-enylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-phenylethyl)-4-(prop-2-enylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(2-phenylethyl)-4-(prop-2-enylamino)pyridine-2-carboxamide is C=CCNc1ccnc(C(=O)NCCc2ccccc2)c1.
What is the InChIKey of N-(2-phenylethyl)-4-(prop-2-enylamino)pyridine-2-carboxamide?
The InChIKey is YBGWHSVMIFGFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-2-10-18-15-9-12-19-16(13-15)17(21)20-11-8-14-6-4-3-5-7-14/h2-7,9,12-13H,1,8,10-11H2,(H,18,19)(H,20,21).
What are the key properties of N-(2-phenylethyl)-4-(prop-2-enylamino)pyridine-2-carboxamide?
N-(2-phenylethyl)-4-(prop-2-enylamino)pyridine-2-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-4-(prop-2-enylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109202307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).