N-[4-(dimethylamino)phenyl]-2-oxo-1-prop-2-enylpyridine-3-carboxamide

C17H19N3O2 — CID 1486116

IUPACN-[4-(dimethylamino)phenyl]-2-oxo-1-prop-2-enylpyridine-3-carboxamide
SMILESC=CCn1cccc(C(=O)Nc2ccc(N(C)C)cc2)c1=O
InChIInChI=1S/C17H19N3O2/c1-4-11-20-12-5-6-15(17(20)22)16(21)18-13-7-9-14(10-8-13)19(2)3/h4-10,12H,1,11H2,2-3H3,(H,18,21)
InChIKeyJOBDUCMCHAIVCJ-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.35
Rot. Bonds5

About N-[4-(dimethylamino)phenyl]-2-oxo-1-prop-2-enylpyridine-3-carboxamide

N-[4-(dimethylamino)phenyl]-2-oxo-1-prop-2-enylpyridine-3-carboxamide (PubChem CID 1486116) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-2-oxo-1-prop-2-enylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-2-oxo-1-prop-2-enylpyridine-3-carboxamide
PubChem CID1486116
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN-[4-(dimethylamino)phenyl]-2-oxo-1-prop-2-enylpyridine-3-carboxamide
SMILESC=CCn1cccc(C(=O)Nc2ccc(N(C)C)cc2)c1=O
InChIInChI=1S/C17H19N3O2/c1-4-11-20-12-5-6-15(17(20)22)16(21)18-13-7-9-14(10-8-13)19(2)3/h4-10,12H,1,11H2,2-3H3,(H,18,21)
InChIKeyJOBDUCMCHAIVCJ-UHFFFAOYSA-N
XLogP2.35
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-2-oxo-1-prop-2-enylpyridine-3-carboxamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-2-oxo-1-prop-2-enylpyridine-3-carboxamide (CID 1486116) is N-[4-(dimethylamino)phenyl]-2-oxo-1-prop-2-enylpyridine-3-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-2-oxo-1-prop-2-enylpyridine-3-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-2-oxo-1-prop-2-enylpyridine-3-carboxamide is C=CCn1cccc(C(=O)Nc2ccc(N(C)C)cc2)c1=O.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-2-oxo-1-prop-2-enylpyridine-3-carboxamide?
The InChIKey is JOBDUCMCHAIVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-4-11-20-12-5-6-15(17(20)22)16(21)18-13-7-9-14(10-8-13)19(2)3/h4-10,12H,1,11H2,2-3H3,(H,18,21).
What are the key properties of N-[4-(dimethylamino)phenyl]-2-oxo-1-prop-2-enylpyridine-3-carboxamide?
N-[4-(dimethylamino)phenyl]-2-oxo-1-prop-2-enylpyridine-3-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-2-oxo-1-prop-2-enylpyridine-3-carboxamide is sourced from PubChem (CID 1486116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).