N,N-bis[(4-methoxyphenyl)methyl]-5-methyl-6-[1-(3-methylphenyl)piperidin-4-yl]pyridin-2-amine

C34H39N3O2 — CID 175821321

IUPACN,N-bis[(4-methoxyphenyl)methyl]-5-methyl-6-[1-(3-methylphenyl)piperidin-4-yl]pyridin-2-amine
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)c2ccc(C)c(C3CCN(c4cccc(C)c4)CC3)n2)cc1
InChIInChI=1S/C34H39N3O2/c1-25-6-5-7-30(22-25)36-20-18-29(19-21-36)34-26(2)8-17-33(35-34)37(23-27-9-13-31(38-3)14-10-27)24-28-11-15-32(39-4)16-12-28/h5-17,22,29H,18-21,23-24H2,1-4H3
InChIKeyAUGGWJKLFJJMRV-UHFFFAOYSA-N
MW521.71 g/mol
LogP7.31
Rot. Bonds9

About N,N-bis[(4-methoxyphenyl)methyl]-5-methyl-6-[1-(3-methylphenyl)piperidin-4-yl]pyridin-2-amine

N,N-bis[(4-methoxyphenyl)methyl]-5-methyl-6-[1-(3-methylphenyl)piperidin-4-yl]pyridin-2-amine (PubChem CID 175821321) has the molecular formula C34H39N3O2 and a molecular weight of 521.71 g/mol. Its IUPAC name is N,N-bis[(4-methoxyphenyl)methyl]-5-methyl-6-[1-(3-methylphenyl)piperidin-4-yl]pyridin-2-amine.

Molecular Properties

Compound NameN,N-bis[(4-methoxyphenyl)methyl]-5-methyl-6-[1-(3-methylphenyl)piperidin-4-yl]pyridin-2-amine
PubChem CID175821321
Molecular FormulaC34H39N3O2
Molecular Weight521.71 g/mol
Exact Mass521.30
IUPAC NameN,N-bis[(4-methoxyphenyl)methyl]-5-methyl-6-[1-(3-methylphenyl)piperidin-4-yl]pyridin-2-amine
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)c2ccc(C)c(C3CCN(c4cccc(C)c4)CC3)n2)cc1
InChIInChI=1S/C34H39N3O2/c1-25-6-5-7-30(22-25)36-20-18-29(19-21-36)34-26(2)8-17-33(35-34)37(23-27-9-13-31(38-3)14-10-27)24-28-11-15-32(39-4)16-12-28/h5-17,22,29H,18-21,23-24H2,1-4H3
InChIKeyAUGGWJKLFJJMRV-UHFFFAOYSA-N
XLogP7.31
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.71
LogP ≤ 57.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-bis[(4-methoxyphenyl)methyl]-5-methyl-6-[1-(3-methylphenyl)piperidin-4-yl]pyridin-2-amine?
The IUPAC name of N,N-bis[(4-methoxyphenyl)methyl]-5-methyl-6-[1-(3-methylphenyl)piperidin-4-yl]pyridin-2-amine (CID 175821321) is N,N-bis[(4-methoxyphenyl)methyl]-5-methyl-6-[1-(3-methylphenyl)piperidin-4-yl]pyridin-2-amine.
What is the SMILES notation for N,N-bis[(4-methoxyphenyl)methyl]-5-methyl-6-[1-(3-methylphenyl)piperidin-4-yl]pyridin-2-amine?
The canonical SMILES for N,N-bis[(4-methoxyphenyl)methyl]-5-methyl-6-[1-(3-methylphenyl)piperidin-4-yl]pyridin-2-amine is COc1ccc(CN(Cc2ccc(OC)cc2)c2ccc(C)c(C3CCN(c4cccc(C)c4)CC3)n2)cc1.
What is the InChIKey of N,N-bis[(4-methoxyphenyl)methyl]-5-methyl-6-[1-(3-methylphenyl)piperidin-4-yl]pyridin-2-amine?
The InChIKey is AUGGWJKLFJJMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H39N3O2/c1-25-6-5-7-30(22-25)36-20-18-29(19-21-36)34-26(2)8-17-33(35-34)37(23-27-9-13-31(38-3)14-10-27)24-28-11-15-32(39-4)16-12-28/h5-17,22,29H,18-21,23-24H2,1-4H3.
What are the key properties of N,N-bis[(4-methoxyphenyl)methyl]-5-methyl-6-[1-(3-methylphenyl)piperidin-4-yl]pyridin-2-amine?
N,N-bis[(4-methoxyphenyl)methyl]-5-methyl-6-[1-(3-methylphenyl)piperidin-4-yl]pyridin-2-amine has a molecular weight of 521.71 g/mol, XLogP of 7.31, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[(4-methoxyphenyl)methyl]-5-methyl-6-[1-(3-methylphenyl)piperidin-4-yl]pyridin-2-amine is sourced from PubChem (CID 175821321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).