4-methyl-6-[2-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]ethyl]pyridin-2-amine

C18H25N5 — CID 119057273

IUPAC4-methyl-6-[2-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]ethyl]pyridin-2-amine
SMILESCc1cc(N)nc(CCc2cncc(N3CCN(C)CC3)c2)c1
InChIInChI=1S/C18H25N5/c1-14-9-16(21-18(19)10-14)4-3-15-11-17(13-20-12-15)23-7-5-22(2)6-8-23/h9-13H,3-8H2,1-2H3,(H2,19,21)
InChIKeyQJETXLUKROHQMG-UHFFFAOYSA-N
MW311.43 g/mol
LogP1.90
Rot. Bonds4

About 4-methyl-6-[2-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]ethyl]pyridin-2-amine

4-methyl-6-[2-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]ethyl]pyridin-2-amine (PubChem CID 119057273) has the molecular formula C18H25N5 and a molecular weight of 311.43 g/mol. Its IUPAC name is 4-methyl-6-[2-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]ethyl]pyridin-2-amine.

Molecular Properties

Compound Name4-methyl-6-[2-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]ethyl]pyridin-2-amine
PubChem CID119057273
Molecular FormulaC18H25N5
Molecular Weight311.43 g/mol
Exact Mass311.21
IUPAC Name4-methyl-6-[2-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]ethyl]pyridin-2-amine
SMILESCc1cc(N)nc(CCc2cncc(N3CCN(C)CC3)c2)c1
InChIInChI=1S/C18H25N5/c1-14-9-16(21-18(19)10-14)4-3-15-11-17(13-20-12-15)23-7-5-22(2)6-8-23/h9-13H,3-8H2,1-2H3,(H2,19,21)
InChIKeyQJETXLUKROHQMG-UHFFFAOYSA-N
XLogP1.90
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[2-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]ethyl]pyridin-2-amine?
The IUPAC name of 4-methyl-6-[2-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]ethyl]pyridin-2-amine (CID 119057273) is 4-methyl-6-[2-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]ethyl]pyridin-2-amine.
What is the SMILES notation for 4-methyl-6-[2-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]ethyl]pyridin-2-amine?
The canonical SMILES for 4-methyl-6-[2-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]ethyl]pyridin-2-amine is Cc1cc(N)nc(CCc2cncc(N3CCN(C)CC3)c2)c1.
What is the InChIKey of 4-methyl-6-[2-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]ethyl]pyridin-2-amine?
The InChIKey is QJETXLUKROHQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5/c1-14-9-16(21-18(19)10-14)4-3-15-11-17(13-20-12-15)23-7-5-22(2)6-8-23/h9-13H,3-8H2,1-2H3,(H2,19,21).
What are the key properties of 4-methyl-6-[2-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]ethyl]pyridin-2-amine?
4-methyl-6-[2-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]ethyl]pyridin-2-amine has a molecular weight of 311.43 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[2-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]ethyl]pyridin-2-amine is sourced from PubChem (CID 119057273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).