2-pyridin-4-yl-N-(quinolin-4-ylmethyl)ethanamine

C17H17N3 — CID 63867946

IUPAC2-pyridin-4-yl-N-(quinolin-4-ylmethyl)ethanamine
SMILESc1ccc2c(CNCCc3ccncc3)ccnc2c1
InChIInChI=1S/C17H17N3/c1-2-4-17-16(3-1)15(8-12-20-17)13-19-11-7-14-5-9-18-10-6-14/h1-6,8-10,12,19H,7,11,13H2
InChIKeyKBUKPMDHQZAPGD-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.96
Rot. Bonds5

About 2-pyridin-4-yl-N-(quinolin-4-ylmethyl)ethanamine

2-pyridin-4-yl-N-(quinolin-4-ylmethyl)ethanamine (PubChem CID 63867946) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-pyridin-4-yl-N-(quinolin-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-pyridin-4-yl-N-(quinolin-4-ylmethyl)ethanamine
PubChem CID63867946
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name2-pyridin-4-yl-N-(quinolin-4-ylmethyl)ethanamine
SMILESc1ccc2c(CNCCc3ccncc3)ccnc2c1
InChIInChI=1S/C17H17N3/c1-2-4-17-16(3-1)15(8-12-20-17)13-19-11-7-14-5-9-18-10-6-14/h1-6,8-10,12,19H,7,11,13H2
InChIKeyKBUKPMDHQZAPGD-UHFFFAOYSA-N
XLogP2.96
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-pyridin-4-ylethyl)quinoline
CID 70184039
N-(1H-indol-3-ylmethyl)-2-pyridin-4-ylethanamine
CID 62324302
2-pyridin-4-yl-N-(pyrimidin-2-ylmethyl)ethanamine
CID 62700658
2-methoxy-N-(quinolin-4-ylmethyl)ethanamine
CID 62543983
N-(quinolin-4-ylmethyl)ethanamine
CID 58978367
5,5,5-trifluoro-N-(quinolin-4-ylmethyl)pentan-1-amine
CID 115491467
1-[4-(chloromethyl)phenyl]-N-(quinolin-4-ylmethyl)methanamine
CID 107232919
N'-(2-aminoethyl)-N'-[2-(quinolin-4-ylmethylamino)ethyl]ethane-1,2-diamine
CID 90798639
N-(quinolin-4-ylmethyl)hex-5-yn-1-amine
CID 113256049
N-[(5-chloroquinolin-8-yl)methyl]-2-pyridin-4-ylethanamine
CID 115702813
3-imidazol-1-yl-N-(quinolin-4-ylmethyl)propan-1-amine
CID 63850210
3-(2-chloroethoxy)-N-(quinolin-4-ylmethyl)propan-1-amine
CID 114171251

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-yl-N-(quinolin-4-ylmethyl)ethanamine?
The IUPAC name of 2-pyridin-4-yl-N-(quinolin-4-ylmethyl)ethanamine (CID 63867946) is 2-pyridin-4-yl-N-(quinolin-4-ylmethyl)ethanamine.
What is the SMILES notation for 2-pyridin-4-yl-N-(quinolin-4-ylmethyl)ethanamine?
The canonical SMILES for 2-pyridin-4-yl-N-(quinolin-4-ylmethyl)ethanamine is c1ccc2c(CNCCc3ccncc3)ccnc2c1.
What is the InChIKey of 2-pyridin-4-yl-N-(quinolin-4-ylmethyl)ethanamine?
The InChIKey is KBUKPMDHQZAPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-2-4-17-16(3-1)15(8-12-20-17)13-19-11-7-14-5-9-18-10-6-14/h1-6,8-10,12,19H,7,11,13H2.
What are the key properties of 2-pyridin-4-yl-N-(quinolin-4-ylmethyl)ethanamine?
2-pyridin-4-yl-N-(quinolin-4-ylmethyl)ethanamine has a molecular weight of 263.34 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-yl-N-(quinolin-4-ylmethyl)ethanamine is sourced from PubChem (CID 63867946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).