N-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinolin-5-yl)-2-pyridin-4-ylpropanamide

C18H21N3O2 — CID 167816066

IUPACN-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinolin-5-yl)-2-pyridin-4-ylpropanamide
SMILESCC(C(=O)NC1CCCc2c1ccc(=O)n2C)c1ccncc1
InChIInChI=1S/C18H21N3O2/c1-12(13-8-10-19-11-9-13)18(23)20-15-4-3-5-16-14(15)6-7-17(22)21(16)2/h6-12,15H,3-5H2,1-2H3,(H,20,23)
InChIKeyLWDIOYVRYJUADW-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.08
Rot. Bonds3

About N-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinolin-5-yl)-2-pyridin-4-ylpropanamide

N-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinolin-5-yl)-2-pyridin-4-ylpropanamide (PubChem CID 167816066) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinolin-5-yl)-2-pyridin-4-ylpropanamide.

Molecular Properties

Compound NameN-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinolin-5-yl)-2-pyridin-4-ylpropanamide
PubChem CID167816066
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC NameN-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinolin-5-yl)-2-pyridin-4-ylpropanamide
SMILESCC(C(=O)NC1CCCc2c1ccc(=O)n2C)c1ccncc1
InChIInChI=1S/C18H21N3O2/c1-12(13-8-10-19-11-9-13)18(23)20-15-4-3-5-16-14(15)6-7-17(22)21(16)2/h6-12,15H,3-5H2,1-2H3,(H,20,23)
InChIKeyLWDIOYVRYJUADW-UHFFFAOYSA-N
XLogP2.08
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(furan-2-yl)-N-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinolin-5-yl)pyridine-4-carboxamide
CID 167981378
(2R)-2-phenyl-N-[(5S)-2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl]propanamide
CID 92582688
(2S)-2-phenyl-N-[(5R)-2-pyridin-4-yl-5,6,7,8-tetrahydroquinazolin-5-yl]propanamide
CID 92582687
1-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-3-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinolin-5-yl)urea
CID 138019643
3,5-dimethoxy-2-methyl-N-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinolin-5-yl)benzamide
CID 130360506
N-[1-[(4-chlorophenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]-2-phenylpropanamide
CID 110237441
(2R)-2-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide;hydrochloride
CID 119293132
5-[2-(cyclohexen-1-yl)ethylamino]-1-methyl-5,6,7,8-tetrahydroquinolin-2-one
CID 15226997
2-methylsulfonyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide
CID 47221339
3-amino-2-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide
CID 62669622
2-chloro-N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]propanamide
CID 43695835
(2S)-2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 51970127

Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinolin-5-yl)-2-pyridin-4-ylpropanamide?
The IUPAC name of N-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinolin-5-yl)-2-pyridin-4-ylpropanamide (CID 167816066) is N-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinolin-5-yl)-2-pyridin-4-ylpropanamide.
What is the SMILES notation for N-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinolin-5-yl)-2-pyridin-4-ylpropanamide?
The canonical SMILES for N-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinolin-5-yl)-2-pyridin-4-ylpropanamide is CC(C(=O)NC1CCCc2c1ccc(=O)n2C)c1ccncc1.
What is the InChIKey of N-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinolin-5-yl)-2-pyridin-4-ylpropanamide?
The InChIKey is LWDIOYVRYJUADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-12(13-8-10-19-11-9-13)18(23)20-15-4-3-5-16-14(15)6-7-17(22)21(16)2/h6-12,15H,3-5H2,1-2H3,(H,20,23).
What are the key properties of N-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinolin-5-yl)-2-pyridin-4-ylpropanamide?
N-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinolin-5-yl)-2-pyridin-4-ylpropanamide has a molecular weight of 311.38 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinolin-5-yl)-2-pyridin-4-ylpropanamide is sourced from PubChem (CID 167816066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).