6-[2-[3-(aminomethyl)-5-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]phenyl]ethyl]-4-methylpyridin-2-amine

C23H29N5 — CID 71260796

IUPAC6-[2-[3-(aminomethyl)-5-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]phenyl]ethyl]-4-methylpyridin-2-amine
SMILESCc1cc(N)nc(CCc2cc(CN)cc(CCc3cc(C)cc(N)n3)c2)c1
InChIInChI=1S/C23H29N5/c1-15-7-20(27-22(25)9-15)5-3-17-11-18(13-19(12-17)14-24)4-6-21-8-16(2)10-23(26)28-21/h7-13H,3-6,14,24H2,1-2H3,(H2,25,27)(H2,26,28)
InChIKeyJCCJTHWRJDOXTL-UHFFFAOYSA-N
MW375.52 g/mol
LogP3.29
Rot. Bonds7

About 6-[2-[3-(aminomethyl)-5-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]phenyl]ethyl]-4-methylpyridin-2-amine

6-[2-[3-(aminomethyl)-5-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]phenyl]ethyl]-4-methylpyridin-2-amine (PubChem CID 71260796) has the molecular formula C23H29N5 and a molecular weight of 375.52 g/mol. Its IUPAC name is 6-[2-[3-(aminomethyl)-5-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]phenyl]ethyl]-4-methylpyridin-2-amine.

Molecular Properties

Compound Name6-[2-[3-(aminomethyl)-5-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]phenyl]ethyl]-4-methylpyridin-2-amine
PubChem CID71260796
Molecular FormulaC23H29N5
Molecular Weight375.52 g/mol
Exact Mass375.24
IUPAC Name6-[2-[3-(aminomethyl)-5-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]phenyl]ethyl]-4-methylpyridin-2-amine
SMILESCc1cc(N)nc(CCc2cc(CN)cc(CCc3cc(C)cc(N)n3)c2)c1
InChIInChI=1S/C23H29N5/c1-15-7-20(27-22(25)9-15)5-3-17-11-18(13-19(12-17)14-24)4-6-21-8-16(2)10-23(26)28-21/h7-13H,3-6,14,24H2,1-2H3,(H2,25,27)(H2,26,28)
InChIKeyJCCJTHWRJDOXTL-UHFFFAOYSA-N
XLogP3.29
TPSA103.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[3-(aminomethyl)-5-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]phenyl]ethyl]-4-methylpyridin-2-amine?
The IUPAC name of 6-[2-[3-(aminomethyl)-5-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]phenyl]ethyl]-4-methylpyridin-2-amine (CID 71260796) is 6-[2-[3-(aminomethyl)-5-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]phenyl]ethyl]-4-methylpyridin-2-amine.
What is the SMILES notation for 6-[2-[3-(aminomethyl)-5-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]phenyl]ethyl]-4-methylpyridin-2-amine?
The canonical SMILES for 6-[2-[3-(aminomethyl)-5-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]phenyl]ethyl]-4-methylpyridin-2-amine is Cc1cc(N)nc(CCc2cc(CN)cc(CCc3cc(C)cc(N)n3)c2)c1.
What is the InChIKey of 6-[2-[3-(aminomethyl)-5-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]phenyl]ethyl]-4-methylpyridin-2-amine?
The InChIKey is JCCJTHWRJDOXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5/c1-15-7-20(27-22(25)9-15)5-3-17-11-18(13-19(12-17)14-24)4-6-21-8-16(2)10-23(26)28-21/h7-13H,3-6,14,24H2,1-2H3,(H2,25,27)(H2,26,28).
What are the key properties of 6-[2-[3-(aminomethyl)-5-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]phenyl]ethyl]-4-methylpyridin-2-amine?
6-[2-[3-(aminomethyl)-5-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]phenyl]ethyl]-4-methylpyridin-2-amine has a molecular weight of 375.52 g/mol, XLogP of 3.29, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[3-(aminomethyl)-5-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]phenyl]ethyl]-4-methylpyridin-2-amine is sourced from PubChem (CID 71260796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).