N-(pyridin-4-ylmethyl)-1-[2-(pyridin-4-ylmethylamino)naphthalen-1-yl]naphthalen-2-amine

C32H26N4 — CID 58761741

IUPACN-(pyridin-4-ylmethyl)-1-[2-(pyridin-4-ylmethylamino)naphthalen-1-yl]naphthalen-2-amine
SMILESc1ccc2c(-c3c(NCc4ccncc4)ccc4ccccc34)c(NCc3ccncc3)ccc2c1
InChIInChI=1S/C32H26N4/c1-3-7-27-25(5-1)9-11-29(35-21-23-13-17-33-18-14-23)31(27)32-28-8-4-2-6-26(28)10-12-30(32)36-22-24-15-19-34-20-16-24/h1-20,35-36H,21-22H2
InChIKeySRXNCMCJAANRRX-UHFFFAOYSA-N
MW466.59 g/mol
LogP7.67
Rot. Bonds7

About N-(pyridin-4-ylmethyl)-1-[2-(pyridin-4-ylmethylamino)naphthalen-1-yl]naphthalen-2-amine

N-(pyridin-4-ylmethyl)-1-[2-(pyridin-4-ylmethylamino)naphthalen-1-yl]naphthalen-2-amine (PubChem CID 58761741) has the molecular formula C32H26N4 and a molecular weight of 466.59 g/mol. Its IUPAC name is N-(pyridin-4-ylmethyl)-1-[2-(pyridin-4-ylmethylamino)naphthalen-1-yl]naphthalen-2-amine.

Molecular Properties

Compound NameN-(pyridin-4-ylmethyl)-1-[2-(pyridin-4-ylmethylamino)naphthalen-1-yl]naphthalen-2-amine
PubChem CID58761741
Molecular FormulaC32H26N4
Molecular Weight466.59 g/mol
Exact Mass466.22
IUPAC NameN-(pyridin-4-ylmethyl)-1-[2-(pyridin-4-ylmethylamino)naphthalen-1-yl]naphthalen-2-amine
SMILESc1ccc2c(-c3c(NCc4ccncc4)ccc4ccccc34)c(NCc3ccncc3)ccc2c1
InChIInChI=1S/C32H26N4/c1-3-7-27-25(5-1)9-11-29(35-21-23-13-17-33-18-14-23)31(27)32-28-8-4-2-6-26(28)10-12-30(32)36-22-24-15-19-34-20-16-24/h1-20,35-36H,21-22H2
InChIKeySRXNCMCJAANRRX-UHFFFAOYSA-N
XLogP7.67
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.59
LogP ≤ 57.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(benzylamino)naphthalen-1-yl]naphthalene-2-carboxylic acid
CID 58470814
2-N-(pyridin-4-ylmethyl)benzene-1,2-diamine
CID 14125891
1-naphthalen-1-yl-3-(pyridin-4-ylmethyl)thiourea
CID 2807327
3-N-(pyridin-4-ylmethyl)quinoline-3,4-diamine
CID 150061818
1-N,4-N-dibenzylnaphthalene-1,4-diamine
CID 139621317
4-chloro-N-(pyridin-4-ylmethyl)phthalazin-1-amine
CID 60723090
2-(pyridin-4-ylmethylamino)benzoate
CID 3280709
6-chloro-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 53410285
N-benzylpyren-1-amine
CID 15397065
N-[tert-butyl(dimethyl)silyl]-1-[2-[[tert-butyl(dimethyl)silyl]amino]naphthalen-1-yl]naphthalen-2-amine
CID 101234360
5-phenyl-N-(pyridin-4-ylmethyl)pyrimidin-2-amine
CID 3706833
2-phenylsulfanyl-N-(pyridin-4-ylmethyl)acetamide
CID 801588

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-4-ylmethyl)-1-[2-(pyridin-4-ylmethylamino)naphthalen-1-yl]naphthalen-2-amine?
The IUPAC name of N-(pyridin-4-ylmethyl)-1-[2-(pyridin-4-ylmethylamino)naphthalen-1-yl]naphthalen-2-amine (CID 58761741) is N-(pyridin-4-ylmethyl)-1-[2-(pyridin-4-ylmethylamino)naphthalen-1-yl]naphthalen-2-amine.
What is the SMILES notation for N-(pyridin-4-ylmethyl)-1-[2-(pyridin-4-ylmethylamino)naphthalen-1-yl]naphthalen-2-amine?
The canonical SMILES for N-(pyridin-4-ylmethyl)-1-[2-(pyridin-4-ylmethylamino)naphthalen-1-yl]naphthalen-2-amine is c1ccc2c(-c3c(NCc4ccncc4)ccc4ccccc34)c(NCc3ccncc3)ccc2c1.
What is the InChIKey of N-(pyridin-4-ylmethyl)-1-[2-(pyridin-4-ylmethylamino)naphthalen-1-yl]naphthalen-2-amine?
The InChIKey is SRXNCMCJAANRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26N4/c1-3-7-27-25(5-1)9-11-29(35-21-23-13-17-33-18-14-23)31(27)32-28-8-4-2-6-26(28)10-12-30(32)36-22-24-15-19-34-20-16-24/h1-20,35-36H,21-22H2.
What are the key properties of N-(pyridin-4-ylmethyl)-1-[2-(pyridin-4-ylmethylamino)naphthalen-1-yl]naphthalen-2-amine?
N-(pyridin-4-ylmethyl)-1-[2-(pyridin-4-ylmethylamino)naphthalen-1-yl]naphthalen-2-amine has a molecular weight of 466.59 g/mol, XLogP of 7.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-4-ylmethyl)-1-[2-(pyridin-4-ylmethylamino)naphthalen-1-yl]naphthalen-2-amine is sourced from PubChem (CID 58761741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).