2-[(5-cyano-2-pyridinyl)-methylamino]-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)acetamide

C18H19N5O2 — CID 47882691

IUPAC2-[(5-cyano-2-pyridinyl)-methylamino]-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)acetamide
SMILESCN(CC(=O)NC1CCCc2[nH]c(=O)ccc21)c1ccc(C#N)cn1
InChIInChI=1S/C18H19N5O2/c1-23(16-7-5-12(9-19)10-20-16)11-18(25)22-15-4-2-3-14-13(15)6-8-17(24)21-14/h5-8,10,15H,2-4,11H2,1H3,(H,21,24)(H,22,25)
InChIKeyYWQHEDFMLIZUGU-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.27
Rot. Bonds4

About 2-[(5-cyano-2-pyridinyl)-methylamino]-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)acetamide

2-[(5-cyano-2-pyridinyl)-methylamino]-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)acetamide (PubChem CID 47882691) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-[(5-cyano-2-pyridinyl)-methylamino]-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)acetamide.

Molecular Properties

Compound Name2-[(5-cyano-2-pyridinyl)-methylamino]-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)acetamide
PubChem CID47882691
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name2-[(5-cyano-2-pyridinyl)-methylamino]-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)acetamide
SMILESCN(CC(=O)NC1CCCc2[nH]c(=O)ccc21)c1ccc(C#N)cn1
InChIInChI=1S/C18H19N5O2/c1-23(16-7-5-12(9-19)10-20-16)11-18(25)22-15-4-2-3-14-13(15)6-8-17(24)21-14/h5-8,10,15H,2-4,11H2,1H3,(H,21,24)(H,22,25)
InChIKeyYWQHEDFMLIZUGU-UHFFFAOYSA-N
XLogP1.27
TPSA101.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyano-2-pyridinyl)-methylamino]-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)acetamide?
The IUPAC name of 2-[(5-cyano-2-pyridinyl)-methylamino]-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)acetamide (CID 47882691) is 2-[(5-cyano-2-pyridinyl)-methylamino]-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)acetamide.
What is the SMILES notation for 2-[(5-cyano-2-pyridinyl)-methylamino]-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)acetamide?
The canonical SMILES for 2-[(5-cyano-2-pyridinyl)-methylamino]-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)acetamide is CN(CC(=O)NC1CCCc2[nH]c(=O)ccc21)c1ccc(C#N)cn1.
What is the InChIKey of 2-[(5-cyano-2-pyridinyl)-methylamino]-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)acetamide?
The InChIKey is YWQHEDFMLIZUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-23(16-7-5-12(9-19)10-20-16)11-18(25)22-15-4-2-3-14-13(15)6-8-17(24)21-14/h5-8,10,15H,2-4,11H2,1H3,(H,21,24)(H,22,25).
What are the key properties of 2-[(5-cyano-2-pyridinyl)-methylamino]-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)acetamide?
2-[(5-cyano-2-pyridinyl)-methylamino]-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)acetamide has a molecular weight of 337.38 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyano-2-pyridinyl)-methylamino]-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)acetamide is sourced from PubChem (CID 47882691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).