N-[[2-[(dipyridin-2-ylamino)methyl]phenyl]methyl]-N-pyridin-2-ylpyridin-2-amine

C28H24N6 — CID 90961681

IUPACN-[[2-[(dipyridin-2-ylamino)methyl]phenyl]methyl]-N-pyridin-2-ylpyridin-2-amine
SMILESc1ccc(N(Cc2ccccc2CN(c2ccccn2)c2ccccn2)c2ccccn2)nc1
InChIInChI=1S/C28H24N6/c1-2-12-24(22-34(27-15-5-9-19-31-27)28-16-6-10-20-32-28)23(11-1)21-33(25-13-3-7-17-29-25)26-14-4-8-18-30-26/h1-20H,21-22H2
InChIKeyFJNZJOBUZSRCQF-UHFFFAOYSA-N
MW444.54 g/mol
LogP5.94
Rot. Bonds8

About N-[[2-[(dipyridin-2-ylamino)methyl]phenyl]methyl]-N-pyridin-2-ylpyridin-2-amine

N-[[2-[(dipyridin-2-ylamino)methyl]phenyl]methyl]-N-pyridin-2-ylpyridin-2-amine (PubChem CID 90961681) has the molecular formula C28H24N6 and a molecular weight of 444.54 g/mol. Its IUPAC name is N-[[2-[(dipyridin-2-ylamino)methyl]phenyl]methyl]-N-pyridin-2-ylpyridin-2-amine.

Molecular Properties

Compound NameN-[[2-[(dipyridin-2-ylamino)methyl]phenyl]methyl]-N-pyridin-2-ylpyridin-2-amine
PubChem CID90961681
Molecular FormulaC28H24N6
Molecular Weight444.54 g/mol
Exact Mass444.21
IUPAC NameN-[[2-[(dipyridin-2-ylamino)methyl]phenyl]methyl]-N-pyridin-2-ylpyridin-2-amine
SMILESc1ccc(N(Cc2ccccc2CN(c2ccccn2)c2ccccn2)c2ccccn2)nc1
InChIInChI=1S/C28H24N6/c1-2-12-24(22-34(27-15-5-9-19-31-27)28-16-6-10-20-32-28)23(11-1)21-33(25-13-3-7-17-29-25)26-14-4-8-18-30-26/h1-20H,21-22H2
InChIKeyFJNZJOBUZSRCQF-UHFFFAOYSA-N
XLogP5.94
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.54
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[[2-[(dipyridin-2-ylamino)methyl]phenyl]methyl]-N-pyridin-2-ylpyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Mirtazapine
CID 4205
WZ 811
CID 11565518
Cyclohexyl-(4-(1-piperazin-1-yl(2,6)naphthyridin-3-yl)pyridin-2-yl)amine
CID 25020250
(-)-Mirtazapine
CID 3085219
1-(2-Phenethyl)-4-(2-pyridyl)piperazine
CID 11000026
Esmirtazapine
CID 3085218
1,6-Bis(4-(pyridin-2-yl)piperazin-1-yl)hexane
CID 11524350
1-(Piperazin-1-yl)isoquinoline
CID 15887436
1-[3-(2-Cyclohexylaminopyridin-4-yl)[2,6]naphthyridin-1-yl]-piperidine-4-carboxylic Acid Piperidin-4-ylamide
CID 46900230
2-{4-[3-(6-Methylpyridin-2-yl)prop-2-ynylidene]piperidin-1-yl}-5-phenylnicotinonitrile
CID 87550659
N'-(3-pyridin-2-ylisoquinolin-1-yl)pyridine-2-carboximidamide
CID 463108
1-(3-Phenylpropyl)-4-pyridin-2-ylpiperazine
CID 667735

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(dipyridin-2-ylamino)methyl]phenyl]methyl]-N-pyridin-2-ylpyridin-2-amine?
The IUPAC name of N-[[2-[(dipyridin-2-ylamino)methyl]phenyl]methyl]-N-pyridin-2-ylpyridin-2-amine (CID 90961681) is N-[[2-[(dipyridin-2-ylamino)methyl]phenyl]methyl]-N-pyridin-2-ylpyridin-2-amine.
What is the SMILES notation for N-[[2-[(dipyridin-2-ylamino)methyl]phenyl]methyl]-N-pyridin-2-ylpyridin-2-amine?
The canonical SMILES for N-[[2-[(dipyridin-2-ylamino)methyl]phenyl]methyl]-N-pyridin-2-ylpyridin-2-amine is c1ccc(N(Cc2ccccc2CN(c2ccccn2)c2ccccn2)c2ccccn2)nc1.
What is the InChIKey of N-[[2-[(dipyridin-2-ylamino)methyl]phenyl]methyl]-N-pyridin-2-ylpyridin-2-amine?
The InChIKey is FJNZJOBUZSRCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N6/c1-2-12-24(22-34(27-15-5-9-19-31-27)28-16-6-10-20-32-28)23(11-1)21-33(25-13-3-7-17-29-25)26-14-4-8-18-30-26/h1-20H,21-22H2.
What are the key properties of N-[[2-[(dipyridin-2-ylamino)methyl]phenyl]methyl]-N-pyridin-2-ylpyridin-2-amine?
N-[[2-[(dipyridin-2-ylamino)methyl]phenyl]methyl]-N-pyridin-2-ylpyridin-2-amine has a molecular weight of 444.54 g/mol, XLogP of 5.94, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(dipyridin-2-ylamino)methyl]phenyl]methyl]-N-pyridin-2-ylpyridin-2-amine is sourced from PubChem (CID 90961681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).