1-[5-[[6-(3-chloro-5-methylphenyl)-4-propyl-2-pyridinyl]oxy]-2-pyridinyl]piperidin-4-amine

C25H29ClN4O — CID 167670836

IUPAC1-[5-[[6-(3-chloro-5-methylphenyl)-4-propyl-2-pyridinyl]oxy]-2-pyridinyl]piperidin-4-amine
SMILESCCCc1cc(Oc2ccc(N3CCC(N)CC3)nc2)nc(-c2cc(C)cc(Cl)c2)c1
InChIInChI=1S/C25H29ClN4O/c1-3-4-18-13-23(19-11-17(2)12-20(26)15-19)29-25(14-18)31-22-5-6-24(28-16-22)30-9-7-21(27)8-10-30/h5-6,11-16,21H,3-4,7-10,27H2,1-2H3
InChIKeyUBUGVUHZWPYSKL-UHFFFAOYSA-N
MW436.99 g/mol
LogP5.78
Rot. Bonds6

About 1-[5-[[6-(3-chloro-5-methylphenyl)-4-propyl-2-pyridinyl]oxy]-2-pyridinyl]piperidin-4-amine

1-[5-[[6-(3-chloro-5-methylphenyl)-4-propyl-2-pyridinyl]oxy]-2-pyridinyl]piperidin-4-amine (PubChem CID 167670836) has the molecular formula C25H29ClN4O and a molecular weight of 436.99 g/mol. Its IUPAC name is 1-[5-[[6-(3-chloro-5-methylphenyl)-4-propyl-2-pyridinyl]oxy]-2-pyridinyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[5-[[6-(3-chloro-5-methylphenyl)-4-propyl-2-pyridinyl]oxy]-2-pyridinyl]piperidin-4-amine
PubChem CID167670836
Molecular FormulaC25H29ClN4O
Molecular Weight436.99 g/mol
Exact Mass436.20
IUPAC Name1-[5-[[6-(3-chloro-5-methylphenyl)-4-propyl-2-pyridinyl]oxy]-2-pyridinyl]piperidin-4-amine
SMILESCCCc1cc(Oc2ccc(N3CCC(N)CC3)nc2)nc(-c2cc(C)cc(Cl)c2)c1
InChIInChI=1S/C25H29ClN4O/c1-3-4-18-13-23(19-11-17(2)12-20(26)15-19)29-25(14-18)31-22-5-6-24(28-16-22)30-9-7-21(27)8-10-30/h5-6,11-16,21H,3-4,7-10,27H2,1-2H3
InChIKeyUBUGVUHZWPYSKL-UHFFFAOYSA-N
XLogP5.78
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.99
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[5-[[6-(3-chloro-5-methylphenyl)-4-propyl-2-pyridinyl]oxy]-2-pyridinyl]piperidin-4-amine with MolForge

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Related Compounds

ethyl N-[4-[5-[[4-[[4-(acetamidomethyl)piperidin-1-yl]methyl]-6-(3,5-dichlorophenyl)-2-pyridinyl]oxy]-2-pyridinyl]piperazin-1-yl]carbamate
CID 175110242
ethyl 3-[4-[5-[[6-(3,5-dichlorophenyl)-4-[[4-(sulfamoylmethyl)piperidin-1-yl]methyl]-2-pyridinyl]oxy]-2-pyridinyl]piperazin-1-yl]propanoate
CID 146241343
1-[[4-[5-[[4-[[4-(aminomethyl)piperidin-1-yl]methyl]-6-(3,5-dichlorophenyl)-2-pyridinyl]oxy]-2-pyridinyl]piperazin-1-yl]methyl]cyclopropan-1-ol
CID 146241525
1-[1-[[2-(3,5-dichlorophenyl)-6-[[6-[4-(2-methoxyethyl)piperazin-1-yl]-3-pyridinyl]oxy]-4-pyridinyl]methyl]piperidin-4-yl]-N-methylmethanamine;formamide
CID 153361660
ethyl 3-[4-[5-[[6-(3,5-dichlorophenyl)-4-[[4-[(methylcarbamoylamino)methyl]piperidin-1-yl]methyl]-2-pyridinyl]oxy]-2-pyridinyl]piperazin-1-yl]propanoate
CID 146241241
[1-[[2-(3,5-dichlorophenyl)-6-[(6-piperazin-1-yl-3-pyridinyl)oxy]-4-pyridinyl]methyl]piperidin-4-yl] methanesulfonate
CID 175108222
2-[4-[5-[[4-[[4-(acetamidomethyl)piperidin-1-yl]methyl]-6-(3,5-dichlorophenyl)-2-pyridinyl]oxy]-2-pyridinyl]piperazin-1-yl]acetic acid
CID 146241476
methyl 2-[1-[[2-[[6-(1,4-diazepan-1-yl)-3-pyridinyl]oxy]-6-(3,5-dichlorophenyl)-4-pyridinyl]methyl]piperidin-4-yl]acetate
CID 146241648
N-[[1-[[2-(3,5-dichlorophenyl)-6-[[6-[4-(3-sulfamoylpropyl)piperazin-1-yl]-3-pyridinyl]oxy]-4-pyridinyl]methyl]piperidin-4-yl]methyl]formamide
CID 166583770
N-[[1-[[2-(3,5-dichlorophenyl)-6-[[6-[4-(2-methoxyethyl)piperazin-1-yl]-3-pyridinyl]oxy]-4-pyridinyl]methyl]piperidin-4-yl]methyl]acetamide
CID 146241322
N-[[1-[[2-(3,5-dichlorophenyl)-6-[[6-[4-(3-methylsulfonylbutyl)piperazin-1-yl]-3-pyridinyl]oxy]-4-pyridinyl]methyl]piperidin-4-yl]methyl]formamide
CID 166583764
ethyl 3-[3-[5-[[4-[[4-(acetamidomethyl)piperidin-1-yl]methyl]-6-(3,5-dichlorophenyl)-2-pyridinyl]oxy]-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]propanoate
CID 146241530

Frequently Asked Questions

What is the IUPAC name of 1-[5-[[6-(3-chloro-5-methylphenyl)-4-propyl-2-pyridinyl]oxy]-2-pyridinyl]piperidin-4-amine?
The IUPAC name of 1-[5-[[6-(3-chloro-5-methylphenyl)-4-propyl-2-pyridinyl]oxy]-2-pyridinyl]piperidin-4-amine (CID 167670836) is 1-[5-[[6-(3-chloro-5-methylphenyl)-4-propyl-2-pyridinyl]oxy]-2-pyridinyl]piperidin-4-amine.
What is the SMILES notation for 1-[5-[[6-(3-chloro-5-methylphenyl)-4-propyl-2-pyridinyl]oxy]-2-pyridinyl]piperidin-4-amine?
The canonical SMILES for 1-[5-[[6-(3-chloro-5-methylphenyl)-4-propyl-2-pyridinyl]oxy]-2-pyridinyl]piperidin-4-amine is CCCc1cc(Oc2ccc(N3CCC(N)CC3)nc2)nc(-c2cc(C)cc(Cl)c2)c1.
What is the InChIKey of 1-[5-[[6-(3-chloro-5-methylphenyl)-4-propyl-2-pyridinyl]oxy]-2-pyridinyl]piperidin-4-amine?
The InChIKey is UBUGVUHZWPYSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN4O/c1-3-4-18-13-23(19-11-17(2)12-20(26)15-19)29-25(14-18)31-22-5-6-24(28-16-22)30-9-7-21(27)8-10-30/h5-6,11-16,21H,3-4,7-10,27H2,1-2H3.
What are the key properties of 1-[5-[[6-(3-chloro-5-methylphenyl)-4-propyl-2-pyridinyl]oxy]-2-pyridinyl]piperidin-4-amine?
1-[5-[[6-(3-chloro-5-methylphenyl)-4-propyl-2-pyridinyl]oxy]-2-pyridinyl]piperidin-4-amine has a molecular weight of 436.99 g/mol, XLogP of 5.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[6-(3-chloro-5-methylphenyl)-4-propyl-2-pyridinyl]oxy]-2-pyridinyl]piperidin-4-amine is sourced from PubChem (CID 167670836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).