6-[2-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-4-(3-aminopropyl)phenyl]ethyl]-4-methylpyridin-2-amine

C25H33N5 — CID 71304801

IUPAC6-[2-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-4-(3-aminopropyl)phenyl]ethyl]-4-methylpyridin-2-amine
SMILESCc1cc(N)nc(CCc2ccc(CCCN)c(CCc3cc(C)cc(N)n3)c2)c1
InChIInChI=1S/C25H33N5/c1-17-12-22(29-24(27)14-17)9-6-19-5-7-20(4-3-11-26)21(16-19)8-10-23-13-18(2)15-25(28)30-23/h5,7,12-16H,3-4,6,8-11,26H2,1-2H3,(H2,27,29)(H2,28,30)
InChIKeyKSYDDSWEHNSQGZ-UHFFFAOYSA-N
MW403.57 g/mol
LogP3.72
Rot. Bonds9

About 6-[2-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-4-(3-aminopropyl)phenyl]ethyl]-4-methylpyridin-2-amine

6-[2-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-4-(3-aminopropyl)phenyl]ethyl]-4-methylpyridin-2-amine (PubChem CID 71304801) has the molecular formula C25H33N5 and a molecular weight of 403.57 g/mol. Its IUPAC name is 6-[2-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-4-(3-aminopropyl)phenyl]ethyl]-4-methylpyridin-2-amine.

Molecular Properties

Compound Name6-[2-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-4-(3-aminopropyl)phenyl]ethyl]-4-methylpyridin-2-amine
PubChem CID71304801
Molecular FormulaC25H33N5
Molecular Weight403.57 g/mol
Exact Mass403.27
IUPAC Name6-[2-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-4-(3-aminopropyl)phenyl]ethyl]-4-methylpyridin-2-amine
SMILESCc1cc(N)nc(CCc2ccc(CCCN)c(CCc3cc(C)cc(N)n3)c2)c1
InChIInChI=1S/C25H33N5/c1-17-12-22(29-24(27)14-17)9-6-19-5-7-20(4-3-11-26)21(16-19)8-10-23-13-18(2)15-25(28)30-23/h5,7,12-16H,3-4,6,8-11,26H2,1-2H3,(H2,27,29)(H2,28,30)
InChIKeyKSYDDSWEHNSQGZ-UHFFFAOYSA-N
XLogP3.72
TPSA103.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.57
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-4-(3-aminopropyl)phenyl]ethyl]-4-methylpyridin-2-amine?
The IUPAC name of 6-[2-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-4-(3-aminopropyl)phenyl]ethyl]-4-methylpyridin-2-amine (CID 71304801) is 6-[2-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-4-(3-aminopropyl)phenyl]ethyl]-4-methylpyridin-2-amine.
What is the SMILES notation for 6-[2-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-4-(3-aminopropyl)phenyl]ethyl]-4-methylpyridin-2-amine?
The canonical SMILES for 6-[2-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-4-(3-aminopropyl)phenyl]ethyl]-4-methylpyridin-2-amine is Cc1cc(N)nc(CCc2ccc(CCCN)c(CCc3cc(C)cc(N)n3)c2)c1.
What is the InChIKey of 6-[2-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-4-(3-aminopropyl)phenyl]ethyl]-4-methylpyridin-2-amine?
The InChIKey is KSYDDSWEHNSQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5/c1-17-12-22(29-24(27)14-17)9-6-19-5-7-20(4-3-11-26)21(16-19)8-10-23-13-18(2)15-25(28)30-23/h5,7,12-16H,3-4,6,8-11,26H2,1-2H3,(H2,27,29)(H2,28,30).
What are the key properties of 6-[2-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-4-(3-aminopropyl)phenyl]ethyl]-4-methylpyridin-2-amine?
6-[2-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-4-(3-aminopropyl)phenyl]ethyl]-4-methylpyridin-2-amine has a molecular weight of 403.57 g/mol, XLogP of 3.72, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[3-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-4-(3-aminopropyl)phenyl]ethyl]-4-methylpyridin-2-amine is sourced from PubChem (CID 71304801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).