2-methoxy-5-methyl-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-N-phenylpyridin-3-amine

C23H33N5O — CID 155233764

IUPAC2-methoxy-5-methyl-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-N-phenylpyridin-3-amine
SMILESCOc1nc(N2CCC(N3CCN(C)CC3)CC2)c(C)cc1Nc1ccccc1
InChIInChI=1S/C23H33N5O/c1-18-17-21(24-19-7-5-4-6-8-19)23(29-3)25-22(18)28-11-9-20(10-12-28)27-15-13-26(2)14-16-27/h4-8,17,20,24H,9-16H2,1-3H3
InChIKeySZEUDSUOIXHMNB-UHFFFAOYSA-N
MW395.55 g/mol
LogP3.36
Rot. Bonds5

About 2-methoxy-5-methyl-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-N-phenylpyridin-3-amine

2-methoxy-5-methyl-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-N-phenylpyridin-3-amine (PubChem CID 155233764) has the molecular formula C23H33N5O and a molecular weight of 395.55 g/mol. Its IUPAC name is 2-methoxy-5-methyl-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-N-phenylpyridin-3-amine.

Molecular Properties

Compound Name2-methoxy-5-methyl-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-N-phenylpyridin-3-amine
PubChem CID155233764
Molecular FormulaC23H33N5O
Molecular Weight395.55 g/mol
Exact Mass395.27
IUPAC Name2-methoxy-5-methyl-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-N-phenylpyridin-3-amine
SMILESCOc1nc(N2CCC(N3CCN(C)CC3)CC2)c(C)cc1Nc1ccccc1
InChIInChI=1S/C23H33N5O/c1-18-17-21(24-19-7-5-4-6-8-19)23(29-3)25-22(18)28-11-9-20(10-12-28)27-15-13-26(2)14-16-27/h4-8,17,20,24H,9-16H2,1-3H3
InChIKeySZEUDSUOIXHMNB-UHFFFAOYSA-N
XLogP3.36
TPSA43.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-methoxy-5-methyl-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyridinyl]aniline
CID 155714107
5-bromo-4-N-(5-dimethylphosphinothioylquinoxalin-6-yl)-2-N-[2-methoxy-5-methyl-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyridinyl]pyrimidine-2,4-diamine
CID 155239890
4-[[5-[cyclopropyl(methylsulfanyl)amino]quinoxalin-6-yl]amino]-2-[[2-methoxy-5-methyl-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyridinyl]amino]pyrimidine-5-carbonitrile
CID 170249215
1-[1-(6-methoxy-5-methyl-2-pyridinyl)piperidin-4-yl]-4-methylpiperazine
CID 175810130
N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyridin-2-amine
CID 175810607
1-[1-(3-bromo-6-methoxy-5-nitro-2-pyridinyl)piperidin-4-yl]-4-methylpiperazine
CID 166872823
2-N-[5-methyl-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)-3-pyridinyl]-4-N-(1-phosphorosonaphthalen-2-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 175358294
4-N-(5-dimethylphosphorylquinoxalin-6-yl)-2-N-[2-ethoxy-5-methyl-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyridinyl]pyrimidine-2,4-diamine
CID 155240233
4-(4-methylpiperazin-1-yl)-N-phenylpiperidin-1-amine
CID 91408724
1-[1-(3-methoxyphenyl)piperidin-4-yl]-4-methylpiperazine
CID 123493648
2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-6-methyl-4-N-(2-methylsulfonylphenyl)-1,3,5-triazine-2,4-diamine
CID 59284589
5-bromo-2-N-[2,5-dimethoxy-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-pyridinyl]-4-N-(5-dimethylphosphorylquinoxalin-6-yl)pyrimidine-2,4-diamine
CID 155239958

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-methyl-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-N-phenylpyridin-3-amine?
The IUPAC name of 2-methoxy-5-methyl-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-N-phenylpyridin-3-amine (CID 155233764) is 2-methoxy-5-methyl-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-N-phenylpyridin-3-amine.
What is the SMILES notation for 2-methoxy-5-methyl-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-N-phenylpyridin-3-amine?
The canonical SMILES for 2-methoxy-5-methyl-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-N-phenylpyridin-3-amine is COc1nc(N2CCC(N3CCN(C)CC3)CC2)c(C)cc1Nc1ccccc1.
What is the InChIKey of 2-methoxy-5-methyl-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-N-phenylpyridin-3-amine?
The InChIKey is SZEUDSUOIXHMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O/c1-18-17-21(24-19-7-5-4-6-8-19)23(29-3)25-22(18)28-11-9-20(10-12-28)27-15-13-26(2)14-16-27/h4-8,17,20,24H,9-16H2,1-3H3.
What are the key properties of 2-methoxy-5-methyl-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-N-phenylpyridin-3-amine?
2-methoxy-5-methyl-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-N-phenylpyridin-3-amine has a molecular weight of 395.55 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-methyl-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-N-phenylpyridin-3-amine is sourced from PubChem (CID 155233764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).