N-[(4-benzhydryloxyphenyl)methyl]pyridin-4-amine

C25H22N2O — CID 10021822

IUPACN-[(4-benzhydryloxyphenyl)methyl]pyridin-4-amine
SMILESc1ccc(C(Oc2ccc(CNc3ccncc3)cc2)c2ccccc2)cc1
InChIInChI=1S/C25H22N2O/c1-3-7-21(8-4-1)25(22-9-5-2-6-10-22)28-24-13-11-20(12-14-24)19-27-23-15-17-26-18-16-23/h1-18,25H,19H2,(H,26,27)
InChIKeyNGTLTHLKZHQFMU-UHFFFAOYSA-N
MW366.46 g/mol
LogP5.86
Rot. Bonds7

About N-[(4-benzhydryloxyphenyl)methyl]pyridin-4-amine

N-[(4-benzhydryloxyphenyl)methyl]pyridin-4-amine (PubChem CID 10021822) has the molecular formula C25H22N2O and a molecular weight of 366.46 g/mol. Its IUPAC name is N-[(4-benzhydryloxyphenyl)methyl]pyridin-4-amine.

Molecular Properties

Compound NameN-[(4-benzhydryloxyphenyl)methyl]pyridin-4-amine
PubChem CID10021822
Molecular FormulaC25H22N2O
Molecular Weight366.46 g/mol
Exact Mass366.17
IUPAC NameN-[(4-benzhydryloxyphenyl)methyl]pyridin-4-amine
SMILESc1ccc(C(Oc2ccc(CNc3ccncc3)cc2)c2ccccc2)cc1
InChIInChI=1S/C25H22N2O/c1-3-7-21(8-4-1)25(22-9-5-2-6-10-22)28-24-13-11-20(12-14-24)19-27-23-15-17-26-18-16-23/h1-18,25H,19H2,(H,26,27)
InChIKeyNGTLTHLKZHQFMU-UHFFFAOYSA-N
XLogP5.86
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.46
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-benzhydryloxyphenyl)methyl]pyridin-4-amine?
The IUPAC name of N-[(4-benzhydryloxyphenyl)methyl]pyridin-4-amine (CID 10021822) is N-[(4-benzhydryloxyphenyl)methyl]pyridin-4-amine.
What is the SMILES notation for N-[(4-benzhydryloxyphenyl)methyl]pyridin-4-amine?
The canonical SMILES for N-[(4-benzhydryloxyphenyl)methyl]pyridin-4-amine is c1ccc(C(Oc2ccc(CNc3ccncc3)cc2)c2ccccc2)cc1.
What is the InChIKey of N-[(4-benzhydryloxyphenyl)methyl]pyridin-4-amine?
The InChIKey is NGTLTHLKZHQFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O/c1-3-7-21(8-4-1)25(22-9-5-2-6-10-22)28-24-13-11-20(12-14-24)19-27-23-15-17-26-18-16-23/h1-18,25H,19H2,(H,26,27).
What are the key properties of N-[(4-benzhydryloxyphenyl)methyl]pyridin-4-amine?
N-[(4-benzhydryloxyphenyl)methyl]pyridin-4-amine has a molecular weight of 366.46 g/mol, XLogP of 5.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-benzhydryloxyphenyl)methyl]pyridin-4-amine is sourced from PubChem (CID 10021822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).