4-methyl-6-[2-[5-[3-(methylamino)propyl]-3-pyridinyl]ethyl]pyridin-2-amine

C17H24N4 — CID 119081688

IUPAC4-methyl-6-[2-[5-[3-(methylamino)propyl]-3-pyridinyl]ethyl]pyridin-2-amine
SMILESCNCCCc1cncc(CCc2cc(C)cc(N)n2)c1
InChIInChI=1S/C17H24N4/c1-13-8-16(21-17(18)9-13)6-5-15-10-14(11-20-12-15)4-3-7-19-2/h8-12,19H,3-7H2,1-2H3,(H2,18,21)
InChIKeyYUXWMCKGSHXUGW-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.30
Rot. Bonds7

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

4-methyl-6-[2-[5-[3-(methylamino)propyl]-3-pyridinyl]ethyl]pyridin-2-amine (PubChem CID 119081688) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 4-methyl-6-[2-[5-[3-(methylamino)propyl]-3-pyridinyl]ethyl]pyridin-2-amine.

Molecular Properties

Compound Name4-methyl-6-[2-[5-[3-(methylamino)propyl]-3-pyridinyl]ethyl]pyridin-2-amine
PubChem CID119081688
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name4-methyl-6-[2-[5-[3-(methylamino)propyl]-3-pyridinyl]ethyl]pyridin-2-amine
SMILESCNCCCc1cncc(CCc2cc(C)cc(N)n2)c1
InChIInChI=1S/C17H24N4/c1-13-8-16(21-17(18)9-13)6-5-15-10-14(11-20-12-15)4-3-7-19-2/h8-12,19H,3-7H2,1-2H3,(H2,18,21)
InChIKeyYUXWMCKGSHXUGW-UHFFFAOYSA-N
XLogP2.30
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[2-[5-[3-(methylamino)propyl]-3-pyridinyl]ethyl]pyridin-2-amine?
The IUPAC name of 4-methyl-6-[2-[5-[3-(methylamino)propyl]-3-pyridinyl]ethyl]pyridin-2-amine (CID 119081688) is 4-methyl-6-[2-[5-[3-(methylamino)propyl]-3-pyridinyl]ethyl]pyridin-2-amine.
What is the SMILES notation for 4-methyl-6-[2-[5-[3-(methylamino)propyl]-3-pyridinyl]ethyl]pyridin-2-amine?
The canonical SMILES for 4-methyl-6-[2-[5-[3-(methylamino)propyl]-3-pyridinyl]ethyl]pyridin-2-amine is CNCCCc1cncc(CCc2cc(C)cc(N)n2)c1.
What is the InChIKey of 4-methyl-6-[2-[5-[3-(methylamino)propyl]-3-pyridinyl]ethyl]pyridin-2-amine?
The InChIKey is YUXWMCKGSHXUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-13-8-16(21-17(18)9-13)6-5-15-10-14(11-20-12-15)4-3-7-19-2/h8-12,19H,3-7H2,1-2H3,(H2,18,21).
What are the key properties of 4-methyl-6-[2-[5-[3-(methylamino)propyl]-3-pyridinyl]ethyl]pyridin-2-amine?
4-methyl-6-[2-[5-[3-(methylamino)propyl]-3-pyridinyl]ethyl]pyridin-2-amine has a molecular weight of 284.41 g/mol, XLogP of 2.30, 7 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-[3-(methylamino)propyl]-3-pyridinyl]ethyl]pyridin-2-amine is sourced from PubChem (CID 119081688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).