N-[5-(dimethylamino)-2-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide

C17H16N4O2 — CID 51127762

IUPACN-[5-(dimethylamino)-2-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2cc(=O)[nH]c3ccccc23)nc1
InChIInChI=1S/C17H16N4O2/c1-21(2)11-7-8-15(18-10-11)20-17(23)13-9-16(22)19-14-6-4-3-5-12(13)14/h3-10H,1-2H3,(H,19,22)(H,18,20,23)
InChIKeyNBHLKWTVUUVHBO-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.24
Rot. Bonds3

About N-[5-(dimethylamino)-2-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide

N-[5-(dimethylamino)-2-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 51127762) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-[5-(dimethylamino)-2-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[5-(dimethylamino)-2-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide
PubChem CID51127762
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC NameN-[5-(dimethylamino)-2-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2cc(=O)[nH]c3ccccc23)nc1
InChIInChI=1S/C17H16N4O2/c1-21(2)11-7-8-15(18-10-11)20-17(23)13-9-16(22)19-14-6-4-3-5-12(13)14/h3-10H,1-2H3,(H,19,22)(H,18,20,23)
InChIKeyNBHLKWTVUUVHBO-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-(4-bromo-2-pyridinyl)-2-oxo-1H-quinoline-4-carboxamide
CID 102674190
N-[2-(dimethylamino)-3-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide
CID 71896808
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-oxo-1H-quinoline-4-carboxamide
CID 5347000
N-(6-chloro-2-pyridinyl)-2-oxo-1H-quinoline-4-carboxamide
CID 115683240
methyl N-methyl-N-[4-[(2-oxo-1H-quinoline-4-carbonyl)amino]phenyl]carbamate
CID 94650278
N-(2-ethylphenyl)-2-oxo-1H-quinoline-4-carboxamide
CID 6456887
N-[4-(2-hydroxyethyl)-2-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide
CID 167879450
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxo-1H-quinoline-4-carboxamide
CID 4787571
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 26918563
2-oxo-1H-quinoline-4-carbohydrazide
CID 676699
N-(3-methylbutan-2-yl)-2-oxo-1H-quinoline-4-carboxamide
CID 75409323
N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-oxo-1H-quinoline-4-carboxamide
CID 9270290

Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylamino)-2-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of N-[5-(dimethylamino)-2-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide (CID 51127762) is N-[5-(dimethylamino)-2-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-[5-(dimethylamino)-2-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for N-[5-(dimethylamino)-2-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide is CN(C)c1ccc(NC(=O)c2cc(=O)[nH]c3ccccc23)nc1.
What is the InChIKey of N-[5-(dimethylamino)-2-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is NBHLKWTVUUVHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-21(2)11-7-8-15(18-10-11)20-17(23)13-9-16(22)19-14-6-4-3-5-12(13)14/h3-10H,1-2H3,(H,19,22)(H,18,20,23).
What are the key properties of N-[5-(dimethylamino)-2-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide?
N-[5-(dimethylamino)-2-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-[5-(dimethylamino)-2-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 51127762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).