N-methyl-1-(2-methyl-4-pyridinyl)-2-pyridin-4-ylethanamine

C14H17N3 — CID 106755506

IUPACN-methyl-1-(2-methyl-4-pyridinyl)-2-pyridin-4-ylethanamine
SMILESCNC(Cc1ccncc1)c1ccnc(C)c1
InChIInChI=1S/C14H17N3/c1-11-9-13(5-8-17-11)14(15-2)10-12-3-6-16-7-4-12/h3-9,14-15H,10H2,1-2H3
InChIKeyZVQSZWOXFVGMPN-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.29
Rot. Bonds4

About N-methyl-1-(2-methyl-4-pyridinyl)-2-pyridin-4-ylethanamine

N-methyl-1-(2-methyl-4-pyridinyl)-2-pyridin-4-ylethanamine (PubChem CID 106755506) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-methyl-1-(2-methyl-4-pyridinyl)-2-pyridin-4-ylethanamine.

Molecular Properties

Compound NameN-methyl-1-(2-methyl-4-pyridinyl)-2-pyridin-4-ylethanamine
PubChem CID106755506
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC NameN-methyl-1-(2-methyl-4-pyridinyl)-2-pyridin-4-ylethanamine
SMILESCNC(Cc1ccncc1)c1ccnc(C)c1
InChIInChI=1S/C14H17N3/c1-11-9-13(5-8-17-11)14(15-2)10-12-3-6-16-7-4-12/h3-9,14-15H,10H2,1-2H3
InChIKeyZVQSZWOXFVGMPN-UHFFFAOYSA-N
XLogP2.29
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methyl-4-pyridinyl)-2-pyridin-4-ylethanamine?
The IUPAC name of N-methyl-1-(2-methyl-4-pyridinyl)-2-pyridin-4-ylethanamine (CID 106755506) is N-methyl-1-(2-methyl-4-pyridinyl)-2-pyridin-4-ylethanamine.
What is the SMILES notation for N-methyl-1-(2-methyl-4-pyridinyl)-2-pyridin-4-ylethanamine?
The canonical SMILES for N-methyl-1-(2-methyl-4-pyridinyl)-2-pyridin-4-ylethanamine is CNC(Cc1ccncc1)c1ccnc(C)c1.
What is the InChIKey of N-methyl-1-(2-methyl-4-pyridinyl)-2-pyridin-4-ylethanamine?
The InChIKey is ZVQSZWOXFVGMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-11-9-13(5-8-17-11)14(15-2)10-12-3-6-16-7-4-12/h3-9,14-15H,10H2,1-2H3.
What are the key properties of N-methyl-1-(2-methyl-4-pyridinyl)-2-pyridin-4-ylethanamine?
N-methyl-1-(2-methyl-4-pyridinyl)-2-pyridin-4-ylethanamine has a molecular weight of 227.31 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methyl-4-pyridinyl)-2-pyridin-4-ylethanamine is sourced from PubChem (CID 106755506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).