4-methyl-6-[2-[5-[4-(methylaminomethyl)phenyl]-3-pyridinyl]ethyl]pyridin-2-amine

C21H24N4 — CID 134686797

IUPAC4-methyl-6-[2-[5-[4-(methylaminomethyl)phenyl]-3-pyridinyl]ethyl]pyridin-2-amine
SMILESCNCc1ccc(-c2cncc(CCc3cc(C)cc(N)n3)c2)cc1
InChIInChI=1S/C21H24N4/c1-15-9-20(25-21(22)10-15)8-5-17-11-19(14-24-13-17)18-6-3-16(4-7-18)12-23-2/h3-4,6-7,9-11,13-14,23H,5,8,12H2,1-2H3,(H2,22,25)
InChIKeyDWEUCJPXVJGNQN-UHFFFAOYSA-N
MW332.45 g/mol
LogP3.54
Rot. Bonds6

About 4-methyl-6-[2-[5-[4-(methylaminomethyl)phenyl]-3-pyridinyl]ethyl]pyridin-2-amine

4-methyl-6-[2-[5-[4-(methylaminomethyl)phenyl]-3-pyridinyl]ethyl]pyridin-2-amine (PubChem CID 134686797) has the molecular formula C21H24N4 and a molecular weight of 332.45 g/mol. Its IUPAC name is 4-methyl-6-[2-[5-[4-(methylaminomethyl)phenyl]-3-pyridinyl]ethyl]pyridin-2-amine.

Molecular Properties

Compound Name4-methyl-6-[2-[5-[4-(methylaminomethyl)phenyl]-3-pyridinyl]ethyl]pyridin-2-amine
PubChem CID134686797
Molecular FormulaC21H24N4
Molecular Weight332.45 g/mol
Exact Mass332.20
IUPAC Name4-methyl-6-[2-[5-[4-(methylaminomethyl)phenyl]-3-pyridinyl]ethyl]pyridin-2-amine
SMILESCNCc1ccc(-c2cncc(CCc3cc(C)cc(N)n3)c2)cc1
InChIInChI=1S/C21H24N4/c1-15-9-20(25-21(22)10-15)8-5-17-11-19(14-24-13-17)18-6-3-16(4-7-18)12-23-2/h3-4,6-7,9-11,13-14,23H,5,8,12H2,1-2H3,(H2,22,25)
InChIKeyDWEUCJPXVJGNQN-UHFFFAOYSA-N
XLogP3.54
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[2-[5-[4-(methylaminomethyl)phenyl]-3-pyridinyl]ethyl]pyridin-2-amine?
The IUPAC name of 4-methyl-6-[2-[5-[4-(methylaminomethyl)phenyl]-3-pyridinyl]ethyl]pyridin-2-amine (CID 134686797) is 4-methyl-6-[2-[5-[4-(methylaminomethyl)phenyl]-3-pyridinyl]ethyl]pyridin-2-amine.
What is the SMILES notation for 4-methyl-6-[2-[5-[4-(methylaminomethyl)phenyl]-3-pyridinyl]ethyl]pyridin-2-amine?
The canonical SMILES for 4-methyl-6-[2-[5-[4-(methylaminomethyl)phenyl]-3-pyridinyl]ethyl]pyridin-2-amine is CNCc1ccc(-c2cncc(CCc3cc(C)cc(N)n3)c2)cc1.
What is the InChIKey of 4-methyl-6-[2-[5-[4-(methylaminomethyl)phenyl]-3-pyridinyl]ethyl]pyridin-2-amine?
The InChIKey is DWEUCJPXVJGNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4/c1-15-9-20(25-21(22)10-15)8-5-17-11-19(14-24-13-17)18-6-3-16(4-7-18)12-23-2/h3-4,6-7,9-11,13-14,23H,5,8,12H2,1-2H3,(H2,22,25).
What are the key properties of 4-methyl-6-[2-[5-[4-(methylaminomethyl)phenyl]-3-pyridinyl]ethyl]pyridin-2-amine?
4-methyl-6-[2-[5-[4-(methylaminomethyl)phenyl]-3-pyridinyl]ethyl]pyridin-2-amine has a molecular weight of 332.45 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[2-[5-[4-(methylaminomethyl)phenyl]-3-pyridinyl]ethyl]pyridin-2-amine is sourced from PubChem (CID 134686797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).