1-methyl-2-oxo-N-(pyridin-3-ylmethyl)-3,4-dihydroquinoline-6-carboxamide

C17H17N3O2 — CID 52986188

IUPAC1-methyl-2-oxo-N-(pyridin-3-ylmethyl)-3,4-dihydroquinoline-6-carboxamide
SMILESCN1C(=O)CCc2cc(C(=O)NCc3cccnc3)ccc21
InChIInChI=1S/C17H17N3O2/c1-20-15-6-4-14(9-13(15)5-7-16(20)21)17(22)19-11-12-3-2-8-18-10-12/h2-4,6,8-10H,5,7,11H2,1H3,(H,19,22)
InChIKeyNMGNJQADKPTMCE-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.92
Rot. Bonds3

About 1-methyl-2-oxo-N-(pyridin-3-ylmethyl)-3,4-dihydroquinoline-6-carboxamide

1-methyl-2-oxo-N-(pyridin-3-ylmethyl)-3,4-dihydroquinoline-6-carboxamide (PubChem CID 52986188) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 1-methyl-2-oxo-N-(pyridin-3-ylmethyl)-3,4-dihydroquinoline-6-carboxamide.

Molecular Properties

Compound Name1-methyl-2-oxo-N-(pyridin-3-ylmethyl)-3,4-dihydroquinoline-6-carboxamide
PubChem CID52986188
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name1-methyl-2-oxo-N-(pyridin-3-ylmethyl)-3,4-dihydroquinoline-6-carboxamide
SMILESCN1C(=O)CCc2cc(C(=O)NCc3cccnc3)ccc21
InChIInChI=1S/C17H17N3O2/c1-20-15-6-4-14(9-13(15)5-7-16(20)21)17(22)19-11-12-3-2-8-18-10-12/h2-4,6,8-10H,5,7,11H2,1H3,(H,19,22)
InChIKeyNMGNJQADKPTMCE-UHFFFAOYSA-N
XLogP1.92
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3,3-trimethyl-2-oxo-N-(pyridin-3-ylmethyl)indole-5-carboxamide
CID 110764380
1-(benzenesulfinyl)-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-quinoline-6-carboxamide
CID 143820896
1-methyl-N-(pyridin-3-ylmethyl)indazole-6-carboxamide
CID 110475596
4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-(pyridin-3-ylmethyl)benzamide;molecular hydrogen
CID 153360984
4-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 153360604
1-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)butane-1,3-dione
CID 82294637
1-methyl-N-[(4-methylphenyl)methyl]-2-oxo-3H-indole-5-carboxamide
CID 52986160
4-(aminomethyl)-N-(pyridin-3-ylmethyl)benzamide
CID 28545926
N-(pyridin-3-ylmethyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044237
4-(ethylamino)-N-(pyridin-3-ylmethyl)benzamide
CID 62184718
2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 110770413
4-[(3-oxo-1,4-benzothiazin-4-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 4693483

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-N-(pyridin-3-ylmethyl)-3,4-dihydroquinoline-6-carboxamide?
The IUPAC name of 1-methyl-2-oxo-N-(pyridin-3-ylmethyl)-3,4-dihydroquinoline-6-carboxamide (CID 52986188) is 1-methyl-2-oxo-N-(pyridin-3-ylmethyl)-3,4-dihydroquinoline-6-carboxamide.
What is the SMILES notation for 1-methyl-2-oxo-N-(pyridin-3-ylmethyl)-3,4-dihydroquinoline-6-carboxamide?
The canonical SMILES for 1-methyl-2-oxo-N-(pyridin-3-ylmethyl)-3,4-dihydroquinoline-6-carboxamide is CN1C(=O)CCc2cc(C(=O)NCc3cccnc3)ccc21.
What is the InChIKey of 1-methyl-2-oxo-N-(pyridin-3-ylmethyl)-3,4-dihydroquinoline-6-carboxamide?
The InChIKey is NMGNJQADKPTMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-20-15-6-4-14(9-13(15)5-7-16(20)21)17(22)19-11-12-3-2-8-18-10-12/h2-4,6,8-10H,5,7,11H2,1H3,(H,19,22).
What are the key properties of 1-methyl-2-oxo-N-(pyridin-3-ylmethyl)-3,4-dihydroquinoline-6-carboxamide?
1-methyl-2-oxo-N-(pyridin-3-ylmethyl)-3,4-dihydroquinoline-6-carboxamide has a molecular weight of 295.34 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-N-(pyridin-3-ylmethyl)-3,4-dihydroquinoline-6-carboxamide is sourced from PubChem (CID 52986188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).