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

C21H25N5 — CID 46847260

IUPAC6-[2-[5-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-3-pyridinyl]ethyl]-4-methylpyridin-2-amine
SMILESCc1cc(N)nc(CCc2cncc(CCc3cc(C)cc(N)n3)c2)c1
InChIInChI=1S/C21H25N5/c1-14-7-18(25-20(22)9-14)5-3-16-11-17(13-24-12-16)4-6-19-8-15(2)10-21(23)26-19/h7-13H,3-6H2,1-2H3,(H2,22,25)(H2,23,26)
InChIKeyKZHFSPGMRFCRCE-UHFFFAOYSA-N
MW347.47 g/mol
LogP3.22
Rot. Bonds6

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

6-[2-[5-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-3-pyridinyl]ethyl]-4-methylpyridin-2-amine (PubChem CID 46847260) has the molecular formula C21H25N5 and a molecular weight of 347.47 g/mol. Its IUPAC name is 6-[2-[5-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-3-pyridinyl]ethyl]-4-methylpyridin-2-amine.

Molecular Properties

Compound Name6-[2-[5-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-3-pyridinyl]ethyl]-4-methylpyridin-2-amine
PubChem CID46847260
Molecular FormulaC21H25N5
Molecular Weight347.47 g/mol
Exact Mass347.21
IUPAC Name6-[2-[5-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-3-pyridinyl]ethyl]-4-methylpyridin-2-amine
SMILESCc1cc(N)nc(CCc2cncc(CCc3cc(C)cc(N)n3)c2)c1
InChIInChI=1S/C21H25N5/c1-14-7-18(25-20(22)9-14)5-3-16-11-17(13-24-12-16)4-6-19-8-15(2)10-21(23)26-19/h7-13H,3-6H2,1-2H3,(H2,22,25)(H2,23,26)
InChIKeyKZHFSPGMRFCRCE-UHFFFAOYSA-N
XLogP3.22
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[5-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-3-pyridinyl]ethyl]-4-methylpyridin-2-amine?
The IUPAC name of 6-[2-[5-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-3-pyridinyl]ethyl]-4-methylpyridin-2-amine (CID 46847260) is 6-[2-[5-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-3-pyridinyl]ethyl]-4-methylpyridin-2-amine.
What is the SMILES notation for 6-[2-[5-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-3-pyridinyl]ethyl]-4-methylpyridin-2-amine?
The canonical SMILES for 6-[2-[5-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-3-pyridinyl]ethyl]-4-methylpyridin-2-amine is Cc1cc(N)nc(CCc2cncc(CCc3cc(C)cc(N)n3)c2)c1.
What is the InChIKey of 6-[2-[5-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-3-pyridinyl]ethyl]-4-methylpyridin-2-amine?
The InChIKey is KZHFSPGMRFCRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5/c1-14-7-18(25-20(22)9-14)5-3-16-11-17(13-24-12-16)4-6-19-8-15(2)10-21(23)26-19/h7-13H,3-6H2,1-2H3,(H2,22,25)(H2,23,26).
What are the key properties of 6-[2-[5-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-3-pyridinyl]ethyl]-4-methylpyridin-2-amine?
6-[2-[5-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-3-pyridinyl]ethyl]-4-methylpyridin-2-amine has a molecular weight of 347.47 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[5-[2-(6-amino-4-methyl-2-pyridinyl)ethyl]-3-pyridinyl]ethyl]-4-methylpyridin-2-amine is sourced from PubChem (CID 46847260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).