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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Related Compounds

N-{6-[3-(Piperazin-1-Yl)phenyl]pyridin-2-Yl}-4-(Trifluoromethyl)pyridin-2-Amine
CID 56947354
1-(2-Phenethyl)-4-(2-pyridyl)piperazine
CID 11000026
N-(4,6-dimethyl-2-pyridinyl)-4-(4-pyridinyl)-1-piperazinecarbothioamide
CID 49853203
8-Methyl-6-(4-methyl-1-piperazinyl)-11H-pyrido(2,3-b)(1,4)benzodiazepine
CID 3802
N-[(5-methylpyrimidin-2-yl)methyl]-6-phenyl-2-(pyridin-3-yl)pyrimidin-4-amine
CID 3296768
2-Methyl-N~1~-[3-(Pyridin-4-Yl)-2,6-Naphthyridin-1-Yl]propane-1,2-Diamine
CID 24996161
6,6'-(Pyridine-3,5-Diyldiethane-2,1-Diyl)bis(4-Methylpyridin-2-Amine)
CID 46847260
6-(2-{5-[2-(2-Amino-6-Methylpyridin-4-Yl)ethyl]pyridin-3-Yl}ethyl)-4-Methylpyridin-2-Amine
CID 46892823
6,6'-(Pyridine-2,6-Diyldiethane-2,1-Diyl)bis(4-Methylpyridin-2-Amine)
CID 46892824
6-(2-{6-[2-(2-Amino-6-Methylpyridin-4-Yl)ethyl]pyridin-2-Yl}ethyl)-4-Methylpyridin-2-Amine
CID 46892825
Nct-502
CID 49853368
7-[6-(Dimethylamino)pyridin-3-Yl]-~{n}-[[(3~{s})-Piperidin-3-Yl]methyl]pyrido[3,4-B]pyrazin-5-Amine
CID 66555698

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).