2-methyl-N-(6-methyl-2-pyridinyl)-6-piperidin-4-ylpyridin-4-amine

C17H22N4 — CID 66509700

IUPAC2-methyl-N-(6-methyl-2-pyridinyl)-6-piperidin-4-ylpyridin-4-amine
SMILESCc1cccc(Nc2cc(C)nc(C3CCNCC3)c2)n1
InChIInChI=1S/C17H22N4/c1-12-4-3-5-17(20-12)21-15-10-13(2)19-16(11-15)14-6-8-18-9-7-14/h3-5,10-11,14,18H,6-9H2,1-2H3,(H,19,20,21)
InChIKeyKPDSMPPNQLFVDE-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.30
Rot. Bonds3

About 2-methyl-N-(6-methyl-2-pyridinyl)-6-piperidin-4-ylpyridin-4-amine

2-methyl-N-(6-methyl-2-pyridinyl)-6-piperidin-4-ylpyridin-4-amine (PubChem CID 66509700) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-methyl-N-(6-methyl-2-pyridinyl)-6-piperidin-4-ylpyridin-4-amine.

Molecular Properties

Compound Name2-methyl-N-(6-methyl-2-pyridinyl)-6-piperidin-4-ylpyridin-4-amine
PubChem CID66509700
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name2-methyl-N-(6-methyl-2-pyridinyl)-6-piperidin-4-ylpyridin-4-amine
SMILESCc1cccc(Nc2cc(C)nc(C3CCNCC3)c2)n1
InChIInChI=1S/C17H22N4/c1-12-4-3-5-17(20-12)21-15-10-13(2)19-16(11-15)14-6-8-18-9-7-14/h3-5,10-11,14,18H,6-9H2,1-2H3,(H,19,20,21)
InChIKeyKPDSMPPNQLFVDE-UHFFFAOYSA-N
XLogP3.30
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(6-methyl-2-pyridinyl)-6-piperidin-4-ylpyridin-4-amine?
The IUPAC name of 2-methyl-N-(6-methyl-2-pyridinyl)-6-piperidin-4-ylpyridin-4-amine (CID 66509700) is 2-methyl-N-(6-methyl-2-pyridinyl)-6-piperidin-4-ylpyridin-4-amine.
What is the SMILES notation for 2-methyl-N-(6-methyl-2-pyridinyl)-6-piperidin-4-ylpyridin-4-amine?
The canonical SMILES for 2-methyl-N-(6-methyl-2-pyridinyl)-6-piperidin-4-ylpyridin-4-amine is Cc1cccc(Nc2cc(C)nc(C3CCNCC3)c2)n1.
What is the InChIKey of 2-methyl-N-(6-methyl-2-pyridinyl)-6-piperidin-4-ylpyridin-4-amine?
The InChIKey is KPDSMPPNQLFVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-12-4-3-5-17(20-12)21-15-10-13(2)19-16(11-15)14-6-8-18-9-7-14/h3-5,10-11,14,18H,6-9H2,1-2H3,(H,19,20,21).
What are the key properties of 2-methyl-N-(6-methyl-2-pyridinyl)-6-piperidin-4-ylpyridin-4-amine?
2-methyl-N-(6-methyl-2-pyridinyl)-6-piperidin-4-ylpyridin-4-amine has a molecular weight of 282.39 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(6-methyl-2-pyridinyl)-6-piperidin-4-ylpyridin-4-amine is sourced from PubChem (CID 66509700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).