N-[[4-[(dipyridin-2-ylamino)methyl]phenyl]methyl]-N-pyridin-2-ylpyridin-2-amine

C28H24N6 — CID 91581925

IUPACN-[[4-[(dipyridin-2-ylamino)methyl]phenyl]methyl]-N-pyridin-2-ylpyridin-2-amine
SMILESc1ccc(N(Cc2ccc(CN(c3ccccn3)c3ccccn3)cc2)c2ccccn2)nc1
InChIInChI=1S/C28H24N6/c1-5-17-29-25(9-1)33(26-10-2-6-18-30-26)21-23-13-15-24(16-14-23)22-34(27-11-3-7-19-31-27)28-12-4-8-20-32-28/h1-20H,21-22H2
InChIKeyAFZSUOSZUQAGPH-UHFFFAOYSA-N
MW444.54 g/mol
LogP5.94
Rot. Bonds8

About N-[[4-[(dipyridin-2-ylamino)methyl]phenyl]methyl]-N-pyridin-2-ylpyridin-2-amine

N-[[4-[(dipyridin-2-ylamino)methyl]phenyl]methyl]-N-pyridin-2-ylpyridin-2-amine (PubChem CID 91581925) has the molecular formula C28H24N6 and a molecular weight of 444.54 g/mol. Its IUPAC name is N-[[4-[(dipyridin-2-ylamino)methyl]phenyl]methyl]-N-pyridin-2-ylpyridin-2-amine.

Molecular Properties

Compound NameN-[[4-[(dipyridin-2-ylamino)methyl]phenyl]methyl]-N-pyridin-2-ylpyridin-2-amine
PubChem CID91581925
Molecular FormulaC28H24N6
Molecular Weight444.54 g/mol
Exact Mass444.21
IUPAC NameN-[[4-[(dipyridin-2-ylamino)methyl]phenyl]methyl]-N-pyridin-2-ylpyridin-2-amine
SMILESc1ccc(N(Cc2ccc(CN(c3ccccn3)c3ccccn3)cc2)c2ccccn2)nc1
InChIInChI=1S/C28H24N6/c1-5-17-29-25(9-1)33(26-10-2-6-18-30-26)21-23-13-15-24(16-14-23)22-34(27-11-3-7-19-31-27)28-12-4-8-20-32-28/h1-20H,21-22H2
InChIKeyAFZSUOSZUQAGPH-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

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Related Compounds

N-[[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]methyl]-N-pyridin-2-ylpyridin-2-amine
CID 139198538
4-[(dipyridin-2-ylamino)methyl]benzenecarboximidamide
CID 145422995
bis(N-benzyl-N-pyridin-2-ylpyridin-2-amine);platinum(2+);bis(trifluoromethanesulfonate)
CID 139174362
4-propan-2-yl-N-pyridin-2-yl-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 173090911
N-benzyl-N-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 141425890
4-[[(1-methylpyrazol-3-yl)-pyridin-2-ylamino]methyl]benzoate
CID 131746946
N,N-bis(sulfanyl)pyridin-2-amine
CID 89305053
4-N-benzyl-6-N,6-N-diethyl-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine
CID 19136839
6-methyl-N-[(6-methyl-2-pyridinyl)methyl]-N-pyridin-2-ylpyridin-2-amine
CID 66627792
N-benzyl-6-hydrazinyl-5-nitro-N-pyridin-2-ylpyrimidin-4-amine
CID 22534752
4-N-benzyl-6-phenylsulfanyl-4-N-pyridin-2-ylpyrimidine-4,5-diamine
CID 19149747
N-methyl-N-pyridin-2-ylpyridin-2-amine
CID 14365053

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(dipyridin-2-ylamino)methyl]phenyl]methyl]-N-pyridin-2-ylpyridin-2-amine?
The IUPAC name of N-[[4-[(dipyridin-2-ylamino)methyl]phenyl]methyl]-N-pyridin-2-ylpyridin-2-amine (CID 91581925) is N-[[4-[(dipyridin-2-ylamino)methyl]phenyl]methyl]-N-pyridin-2-ylpyridin-2-amine.
What is the SMILES notation for N-[[4-[(dipyridin-2-ylamino)methyl]phenyl]methyl]-N-pyridin-2-ylpyridin-2-amine?
The canonical SMILES for N-[[4-[(dipyridin-2-ylamino)methyl]phenyl]methyl]-N-pyridin-2-ylpyridin-2-amine is c1ccc(N(Cc2ccc(CN(c3ccccn3)c3ccccn3)cc2)c2ccccn2)nc1.
What is the InChIKey of N-[[4-[(dipyridin-2-ylamino)methyl]phenyl]methyl]-N-pyridin-2-ylpyridin-2-amine?
The InChIKey is AFZSUOSZUQAGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N6/c1-5-17-29-25(9-1)33(26-10-2-6-18-30-26)21-23-13-15-24(16-14-23)22-34(27-11-3-7-19-31-27)28-12-4-8-20-32-28/h1-20H,21-22H2.
What are the key properties of N-[[4-[(dipyridin-2-ylamino)methyl]phenyl]methyl]-N-pyridin-2-ylpyridin-2-amine?
N-[[4-[(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-[[4-[(dipyridin-2-ylamino)methyl]phenyl]methyl]-N-pyridin-2-ylpyridin-2-amine is sourced from PubChem (CID 91581925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).