N-[2-(dimethylamino)-3-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide

C17H16N4O2 — CID 71896808

IUPACN-[2-(dimethylamino)-3-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide
SMILESCN(C)c1ncccc1NC(=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C17H16N4O2/c1-21(2)16-14(8-5-9-18-16)20-17(23)12-10-15(22)19-13-7-4-3-6-11(12)13/h3-10H,1-2H3,(H,19,22)(H,20,23)
InChIKeyXLYZUWVGJHXZMV-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.24
Rot. Bonds3

About N-[2-(dimethylamino)-3-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide

N-[2-(dimethylamino)-3-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 71896808) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-[2-(dimethylamino)-3-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-3-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide
PubChem CID71896808
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC NameN-[2-(dimethylamino)-3-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide
SMILESCN(C)c1ncccc1NC(=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C17H16N4O2/c1-21(2)16-14(8-5-9-18-16)20-17(23)12-10-15(22)19-13-7-4-3-6-11(12)13/h3-10H,1-2H3,(H,19,22)(H,20,23)
InChIKeyXLYZUWVGJHXZMV-UHFFFAOYSA-N
XLogP2.24
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(dimethylamino)-2-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide
CID 51127762
N-(2-ethylphenyl)-2-oxo-1H-quinoline-4-carboxamide
CID 6456887
N-(3-chloro-2-pyridinyl)-2-oxo-1H-quinoline-4-carboxamide
CID 103892932
N-(2-methoxyphenyl)-2-oxo-1H-quinoline-4-carboxamide
CID 917217
2-oxo-N-(2-phenylphenyl)-1H-quinoline-4-carboxamide
CID 2540380
N-(2-bromo-4-methylphenyl)-2-oxo-1H-quinoline-4-carboxamide
CID 7545590
N-(4-bromo-2-pyridinyl)-2-oxo-1H-quinoline-4-carboxamide
CID 102674190
N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-2-oxo-1H-quinoline-4-carboxamide
CID 31155584
N-(2,5-difluorophenyl)-2-oxo-1H-quinoline-4-carboxamide
CID 7901301
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxo-1H-quinoline-4-carboxamide
CID 4787571
4-chloro-N-[2-(dimethylamino)-3-pyridinyl]-2-iodobenzamide
CID 47234649
N-(5-chloro-2-hydroxyphenyl)-2-oxo-1H-quinoline-4-carboxamide
CID 29127344

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-3-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-3-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide (CID 71896808) is N-[2-(dimethylamino)-3-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-3-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-3-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide is CN(C)c1ncccc1NC(=O)c1cc(=O)[nH]c2ccccc12.
What is the InChIKey of N-[2-(dimethylamino)-3-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is XLYZUWVGJHXZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-21(2)16-14(8-5-9-18-16)20-17(23)12-10-15(22)19-13-7-4-3-6-11(12)13/h3-10H,1-2H3,(H,19,22)(H,20,23).
What are the key properties of N-[2-(dimethylamino)-3-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide?
N-[2-(dimethylamino)-3-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-3-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 71896808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).