N-[[6-[(dipyridin-2-ylamino)methyl]-2-pyridinyl]methyl]-N-pyridin-2-ylpyridin-2-amine

C27H23N7 — CID 54279941

IUPACN-[[6-[(dipyridin-2-ylamino)methyl]-2-pyridinyl]methyl]-N-pyridin-2-ylpyridin-2-amine
SMILESc1ccc(N(Cc2cccc(CN(c3ccccn3)c3ccccn3)n2)c2ccccn2)nc1
InChIInChI=1S/C27H23N7/c1-5-16-28-24(12-1)33(25-13-2-6-17-29-25)20-22-10-9-11-23(32-22)21-34(26-14-3-7-18-30-26)27-15-4-8-19-31-27/h1-19H,20-21H2
InChIKeyRQCKQLPFWHECON-UHFFFAOYSA-N
MW445.53 g/mol
LogP5.34
Rot. Bonds8

About N-[[6-[(dipyridin-2-ylamino)methyl]-2-pyridinyl]methyl]-N-pyridin-2-ylpyridin-2-amine

N-[[6-[(dipyridin-2-ylamino)methyl]-2-pyridinyl]methyl]-N-pyridin-2-ylpyridin-2-amine (PubChem CID 54279941) has the molecular formula C27H23N7 and a molecular weight of 445.53 g/mol. Its IUPAC name is N-[[6-[(dipyridin-2-ylamino)methyl]-2-pyridinyl]methyl]-N-pyridin-2-ylpyridin-2-amine.

Molecular Properties

Compound NameN-[[6-[(dipyridin-2-ylamino)methyl]-2-pyridinyl]methyl]-N-pyridin-2-ylpyridin-2-amine
PubChem CID54279941
Molecular FormulaC27H23N7
Molecular Weight445.53 g/mol
Exact Mass445.20
IUPAC NameN-[[6-[(dipyridin-2-ylamino)methyl]-2-pyridinyl]methyl]-N-pyridin-2-ylpyridin-2-amine
SMILESc1ccc(N(Cc2cccc(CN(c3ccccn3)c3ccccn3)n2)c2ccccn2)nc1
InChIInChI=1S/C27H23N7/c1-5-16-28-24(12-1)33(25-13-2-6-17-29-25)20-22-10-9-11-23(32-22)21-34(26-14-3-7-18-30-26)27-15-4-8-19-31-27/h1-19H,20-21H2
InChIKeyRQCKQLPFWHECON-UHFFFAOYSA-N
XLogP5.34
TPSA70.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.53
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N,N,N',N'-Tetrakis(2-pyridylmethyl)ethylenediamine
CID 5519
2,4,6-Tris(2'-pyridyl)-1,3,5-triazine
CID 77258
Cyclohexyl-(4-(1-piperazin-1-yl(2,6)naphthyridin-3-yl)pyridin-2-yl)amine
CID 25020250
2,3,5,6-Tetrakis(2-pyridyl)pyrazine
CID 3034360
1,6-Bis(4-(pyridin-2-yl)piperazin-1-yl)hexane
CID 11524350
PD-135222
CID 15079632
1-Pyridin-2-yl-4-[2-(4-pyridin-2-yl-cyclohex-3-enyl)-ethyl]-piperazine
CID 15079633
4-(2-pyridinyl)-N-(2-pyridinylmethylene)-1-piperazinamine
CID 5336781
2-(4-Phenyl-1-piperazinyl)quinoxaline
CID 3812356
1-Phenyl-4-(6-(4-(pyridin-2-yl)piperazin-1-yl)hexyl)piperazine
CID 11704191
3-(2,2-dipyridin-3-ylethyl)-N-methyl-N-pyridin-3-ylpyridin-2-amine
CID 16662313
Cyclohexyl-{4-[1-(4-methylpiperazin-1-yl)[2,6]naphthyridin-3-yl]pyridin-2-yl}amine
CID 25020308

Frequently Asked Questions

What is the IUPAC name of N-[[6-[(dipyridin-2-ylamino)methyl]-2-pyridinyl]methyl]-N-pyridin-2-ylpyridin-2-amine?
The IUPAC name of N-[[6-[(dipyridin-2-ylamino)methyl]-2-pyridinyl]methyl]-N-pyridin-2-ylpyridin-2-amine (CID 54279941) is N-[[6-[(dipyridin-2-ylamino)methyl]-2-pyridinyl]methyl]-N-pyridin-2-ylpyridin-2-amine.
What is the SMILES notation for N-[[6-[(dipyridin-2-ylamino)methyl]-2-pyridinyl]methyl]-N-pyridin-2-ylpyridin-2-amine?
The canonical SMILES for N-[[6-[(dipyridin-2-ylamino)methyl]-2-pyridinyl]methyl]-N-pyridin-2-ylpyridin-2-amine is c1ccc(N(Cc2cccc(CN(c3ccccn3)c3ccccn3)n2)c2ccccn2)nc1.
What is the InChIKey of N-[[6-[(dipyridin-2-ylamino)methyl]-2-pyridinyl]methyl]-N-pyridin-2-ylpyridin-2-amine?
The InChIKey is RQCKQLPFWHECON-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N7/c1-5-16-28-24(12-1)33(25-13-2-6-17-29-25)20-22-10-9-11-23(32-22)21-34(26-14-3-7-18-30-26)27-15-4-8-19-31-27/h1-19H,20-21H2.
What are the key properties of N-[[6-[(dipyridin-2-ylamino)methyl]-2-pyridinyl]methyl]-N-pyridin-2-ylpyridin-2-amine?
N-[[6-[(dipyridin-2-ylamino)methyl]-2-pyridinyl]methyl]-N-pyridin-2-ylpyridin-2-amine has a molecular weight of 445.53 g/mol, XLogP of 5.34, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(dipyridin-2-ylamino)methyl]-2-pyridinyl]methyl]-N-pyridin-2-ylpyridin-2-amine is sourced from PubChem (CID 54279941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).