6-[3-(2-aminoethyl)phenyl]-N-(4-methyl-2-pyridinyl)pyridin-2-amine

C19H20N4 — CID 56948983

IUPAC6-[3-(2-aminoethyl)phenyl]-N-(4-methyl-2-pyridinyl)pyridin-2-amine
SMILESCc1ccnc(Nc2cccc(-c3cccc(CCN)c3)n2)c1
InChIInChI=1S/C19H20N4/c1-14-9-11-21-19(12-14)23-18-7-3-6-17(22-18)16-5-2-4-15(13-16)8-10-20/h2-7,9,11-13H,8,10,20H2,1H3,(H,21,22,23)
InChIKeyMNQRQINEGPHHRA-UHFFFAOYSA-N
MW304.40 g/mol
LogP3.70
Rot. Bonds5

About 6-[3-(2-aminoethyl)phenyl]-N-(4-methyl-2-pyridinyl)pyridin-2-amine

6-[3-(2-aminoethyl)phenyl]-N-(4-methyl-2-pyridinyl)pyridin-2-amine (PubChem CID 56948983) has the molecular formula C19H20N4 and a molecular weight of 304.40 g/mol. Its IUPAC name is 6-[3-(2-aminoethyl)phenyl]-N-(4-methyl-2-pyridinyl)pyridin-2-amine.

Molecular Properties

Compound Name6-[3-(2-aminoethyl)phenyl]-N-(4-methyl-2-pyridinyl)pyridin-2-amine
PubChem CID56948983
Molecular FormulaC19H20N4
Molecular Weight304.40 g/mol
Exact Mass304.17
IUPAC Name6-[3-(2-aminoethyl)phenyl]-N-(4-methyl-2-pyridinyl)pyridin-2-amine
SMILESCc1ccnc(Nc2cccc(-c3cccc(CCN)c3)n2)c1
InChIInChI=1S/C19H20N4/c1-14-9-11-21-19(12-14)23-18-7-3-6-17(22-18)16-5-2-4-15(13-16)8-10-20/h2-7,9,11-13H,8,10,20H2,1H3,(H,21,22,23)
InChIKeyMNQRQINEGPHHRA-UHFFFAOYSA-N
XLogP3.70
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(2-aminoethyl)phenyl]-N-(4-methyl-2-pyridinyl)pyridin-2-amine?
The IUPAC name of 6-[3-(2-aminoethyl)phenyl]-N-(4-methyl-2-pyridinyl)pyridin-2-amine (CID 56948983) is 6-[3-(2-aminoethyl)phenyl]-N-(4-methyl-2-pyridinyl)pyridin-2-amine.
What is the SMILES notation for 6-[3-(2-aminoethyl)phenyl]-N-(4-methyl-2-pyridinyl)pyridin-2-amine?
The canonical SMILES for 6-[3-(2-aminoethyl)phenyl]-N-(4-methyl-2-pyridinyl)pyridin-2-amine is Cc1ccnc(Nc2cccc(-c3cccc(CCN)c3)n2)c1.
What is the InChIKey of 6-[3-(2-aminoethyl)phenyl]-N-(4-methyl-2-pyridinyl)pyridin-2-amine?
The InChIKey is MNQRQINEGPHHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4/c1-14-9-11-21-19(12-14)23-18-7-3-6-17(22-18)16-5-2-4-15(13-16)8-10-20/h2-7,9,11-13H,8,10,20H2,1H3,(H,21,22,23).
What are the key properties of 6-[3-(2-aminoethyl)phenyl]-N-(4-methyl-2-pyridinyl)pyridin-2-amine?
6-[3-(2-aminoethyl)phenyl]-N-(4-methyl-2-pyridinyl)pyridin-2-amine has a molecular weight of 304.40 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2-aminoethyl)phenyl]-N-(4-methyl-2-pyridinyl)pyridin-2-amine is sourced from PubChem (CID 56948983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).