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

C24H28ClN5O — CID 146241889

IUPAC1-[5-[[6-(3-chloro-5-methylphenyl)-4-(methylaminomethyl)-2-pyridinyl]oxy]-2-pyridinyl]piperidin-4-amine
SMILESCNCc1cc(Oc2ccc(N3CCC(N)CC3)nc2)nc(-c2cc(C)cc(Cl)c2)c1
InChIInChI=1S/C24H28ClN5O/c1-16-9-18(13-19(25)10-16)22-11-17(14-27-2)12-24(29-22)31-21-3-4-23(28-15-21)30-7-5-20(26)6-8-30/h3-4,9-13,15,20,27H,5-8,14,26H2,1-2H3
InChIKeyWXAWSOSENJECMG-UHFFFAOYSA-N
MW437.98 g/mol
LogP4.54
Rot. Bonds6

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

1-[5-[[6-(3-chloro-5-methylphenyl)-4-(methylaminomethyl)-2-pyridinyl]oxy]-2-pyridinyl]piperidin-4-amine (PubChem CID 146241889) has the molecular formula C24H28ClN5O and a molecular weight of 437.98 g/mol. Its IUPAC name is 1-[5-[[6-(3-chloro-5-methylphenyl)-4-(methylaminomethyl)-2-pyridinyl]oxy]-2-pyridinyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[5-[[6-(3-chloro-5-methylphenyl)-4-(methylaminomethyl)-2-pyridinyl]oxy]-2-pyridinyl]piperidin-4-amine
PubChem CID146241889
Molecular FormulaC24H28ClN5O
Molecular Weight437.98 g/mol
Exact Mass437.20
IUPAC Name1-[5-[[6-(3-chloro-5-methylphenyl)-4-(methylaminomethyl)-2-pyridinyl]oxy]-2-pyridinyl]piperidin-4-amine
SMILESCNCc1cc(Oc2ccc(N3CCC(N)CC3)nc2)nc(-c2cc(C)cc(Cl)c2)c1
InChIInChI=1S/C24H28ClN5O/c1-16-9-18(13-19(25)10-16)22-11-17(14-27-2)12-24(29-22)31-21-3-4-23(28-15-21)30-7-5-20(26)6-8-30/h3-4,9-13,15,20,27H,5-8,14,26H2,1-2H3
InChIKeyWXAWSOSENJECMG-UHFFFAOYSA-N
XLogP4.54
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.98
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[[6-(3-chloro-5-methylphenyl)-4-(methylaminomethyl)-2-pyridinyl]oxy]-2-pyridinyl]piperidin-4-amine?
The IUPAC name of 1-[5-[[6-(3-chloro-5-methylphenyl)-4-(methylaminomethyl)-2-pyridinyl]oxy]-2-pyridinyl]piperidin-4-amine (CID 146241889) is 1-[5-[[6-(3-chloro-5-methylphenyl)-4-(methylaminomethyl)-2-pyridinyl]oxy]-2-pyridinyl]piperidin-4-amine.
What is the SMILES notation for 1-[5-[[6-(3-chloro-5-methylphenyl)-4-(methylaminomethyl)-2-pyridinyl]oxy]-2-pyridinyl]piperidin-4-amine?
The canonical SMILES for 1-[5-[[6-(3-chloro-5-methylphenyl)-4-(methylaminomethyl)-2-pyridinyl]oxy]-2-pyridinyl]piperidin-4-amine is CNCc1cc(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-(methylaminomethyl)-2-pyridinyl]oxy]-2-pyridinyl]piperidin-4-amine?
The InChIKey is WXAWSOSENJECMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN5O/c1-16-9-18(13-19(25)10-16)22-11-17(14-27-2)12-24(29-22)31-21-3-4-23(28-15-21)30-7-5-20(26)6-8-30/h3-4,9-13,15,20,27H,5-8,14,26H2,1-2H3.
What are the key properties of 1-[5-[[6-(3-chloro-5-methylphenyl)-4-(methylaminomethyl)-2-pyridinyl]oxy]-2-pyridinyl]piperidin-4-amine?
1-[5-[[6-(3-chloro-5-methylphenyl)-4-(methylaminomethyl)-2-pyridinyl]oxy]-2-pyridinyl]piperidin-4-amine has a molecular weight of 437.98 g/mol, XLogP of 4.54, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[6-(3-chloro-5-methylphenyl)-4-(methylaminomethyl)-2-pyridinyl]oxy]-2-pyridinyl]piperidin-4-amine is sourced from PubChem (CID 146241889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).