N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2-oxo-1H-pyridine-3-carboxamide

C17H17N3O2 — CID 90551746

IUPACN-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCN(C)c1ccc(C#CCNC(=O)c2ccc[nH]c2=O)cc1
InChIInChI=1S/C17H17N3O2/c1-20(2)14-9-7-13(8-10-14)5-3-11-18-16(21)15-6-4-12-19-17(15)22/h4,6-10,12H,11H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyGIVSTMAPBHYPSM-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.22
Rot. Bonds3

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

N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 90551746) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID90551746
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC NameN-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCN(C)c1ccc(C#CCNC(=O)c2ccc[nH]c2=O)cc1
InChIInChI=1S/C17H17N3O2/c1-20(2)14-9-7-13(8-10-14)5-3-11-18-16(21)15-6-4-12-19-17(15)22/h4,6-10,12H,11H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyGIVSTMAPBHYPSM-UHFFFAOYSA-N
XLogP1.22
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-fluorophenyl)prop-2-ynyl]-2-oxo-1H-pyridine-3-carboxamide
CID 90548030
4-(dimethylamino)-N-[3-(4-fluorophenyl)prop-2-ynyl]benzamide
CID 90548264
N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-1H-indole-2-carboxamide
CID 90551749
N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2,2-diphenylacetamide
CID 90551907
4-[3-[[4-(dimethylamino)benzoyl]amino]prop-1-ynyl]benzamide
CID 90549900
methyl 4-[3-[4-(dimethylamino)phenyl]prop-2-ynylcarbamoyl]benzoate
CID 90551779
N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]thiophene-3-carboxamide
CID 90551974
N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-4-(trifluoromethyl)benzamide
CID 90551871
N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-3-methoxybenzamide
CID 90551830
N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-8-methoxy-2-oxochromene-3-carboxamide
CID 90551984
1-tert-butyl-3-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]urea
CID 90554279
tert-butyl N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]carbamate
CID 90552009

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2-oxo-1H-pyridine-3-carboxamide (CID 90551746) is N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2-oxo-1H-pyridine-3-carboxamide is CN(C)c1ccc(C#CCNC(=O)c2ccc[nH]c2=O)cc1.
What is the InChIKey of N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is GIVSTMAPBHYPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-20(2)14-9-7-13(8-10-14)5-3-11-18-16(21)15-6-4-12-19-17(15)22/h4,6-10,12H,11H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2-oxo-1H-pyridine-3-carboxamide?
N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 295.34 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 90551746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).