2-N-[2-(2,2-dipyridin-3-ylethyl)phenyl]pyridine-2,5-diamine

C23H21N5 — CID 16662311

IUPAC2-N-[2-(2,2-dipyridin-3-ylethyl)phenyl]pyridine-2,5-diamine
SMILESNc1ccc(Nc2ccccc2CC(c2cccnc2)c2cccnc2)nc1
InChIInChI=1S/C23H21N5/c24-20-9-10-23(27-16-20)28-22-8-2-1-5-17(22)13-21(18-6-3-11-25-14-18)19-7-4-12-26-15-19/h1-12,14-16,21H,13,24H2,(H,27,28)
InChIKeyZJBOPIJBWPZCIX-UHFFFAOYSA-N
MW367.46 g/mol
LogP4.57
Rot. Bonds6

About 2-N-[2-(2,2-dipyridin-3-ylethyl)phenyl]pyridine-2,5-diamine

2-N-[2-(2,2-dipyridin-3-ylethyl)phenyl]pyridine-2,5-diamine (PubChem CID 16662311) has the molecular formula C23H21N5 and a molecular weight of 367.46 g/mol. Its IUPAC name is 2-N-[2-(2,2-dipyridin-3-ylethyl)phenyl]pyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-[2-(2,2-dipyridin-3-ylethyl)phenyl]pyridine-2,5-diamine
PubChem CID16662311
Molecular FormulaC23H21N5
Molecular Weight367.46 g/mol
Exact Mass367.18
IUPAC Name2-N-[2-(2,2-dipyridin-3-ylethyl)phenyl]pyridine-2,5-diamine
SMILESNc1ccc(Nc2ccccc2CC(c2cccnc2)c2cccnc2)nc1
InChIInChI=1S/C23H21N5/c24-20-9-10-23(27-16-20)28-22-8-2-1-5-17(22)13-21(18-6-3-11-25-14-18)19-7-4-12-26-15-19/h1-12,14-16,21H,13,24H2,(H,27,28)
InChIKeyZJBOPIJBWPZCIX-UHFFFAOYSA-N
XLogP4.57
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_no_alk_A(1)', 'substructure': 'N/A'}

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Related Compounds

2-N-(2-benzylphenyl)pyridine-2,5-diamine
CID 29067045
2-N-pyridin-3-ylpyridine-2,5-diamine
CID 4764177
2-N-phenylpyridine-2,5-diamine
CID 3015331
N-[3-(2,2-dipyridin-3-ylethyl)-2-pyridinyl]quinoxalin-6-amine
CID 16662857
N-[3-(2,2-dipyridin-3-ylethyl)-2-pyridinyl]-2,6-dimethylpyrimidin-4-amine
CID 16662853
3-(2,2-dipyridin-3-ylethyl)-2-(4-methylphenyl)pyridine
CID 66829361
3-phenyl-3-pyridin-3-ylpropanenitrile
CID 12632111
3-(2,2-dipyridin-3-ylethyl)-N-methyl-N-pyridin-2-ylpyridin-2-amine
CID 16662379
2-(4-chlorophenyl)-3-(2,2-dipyridin-3-ylethyl)pyridine
CID 66829368
3-(2,2-dipyridin-3-ylethyl)-N-ethyl-N-pyridin-3-ylpyridin-2-amine
CID 16662535
N-(5-amino-2-pyridinyl)-2-methoxy-2-phenylacetamide
CID 62099407
(1S)-2-phenyl-1-pyridin-3-ylethanamine
CID 93312491

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(2,2-dipyridin-3-ylethyl)phenyl]pyridine-2,5-diamine?
The IUPAC name of 2-N-[2-(2,2-dipyridin-3-ylethyl)phenyl]pyridine-2,5-diamine (CID 16662311) is 2-N-[2-(2,2-dipyridin-3-ylethyl)phenyl]pyridine-2,5-diamine.
What is the SMILES notation for 2-N-[2-(2,2-dipyridin-3-ylethyl)phenyl]pyridine-2,5-diamine?
The canonical SMILES for 2-N-[2-(2,2-dipyridin-3-ylethyl)phenyl]pyridine-2,5-diamine is Nc1ccc(Nc2ccccc2CC(c2cccnc2)c2cccnc2)nc1.
What is the InChIKey of 2-N-[2-(2,2-dipyridin-3-ylethyl)phenyl]pyridine-2,5-diamine?
The InChIKey is ZJBOPIJBWPZCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5/c24-20-9-10-23(27-16-20)28-22-8-2-1-5-17(22)13-21(18-6-3-11-25-14-18)19-7-4-12-26-15-19/h1-12,14-16,21H,13,24H2,(H,27,28).
What are the key properties of 2-N-[2-(2,2-dipyridin-3-ylethyl)phenyl]pyridine-2,5-diamine?
2-N-[2-(2,2-dipyridin-3-ylethyl)phenyl]pyridine-2,5-diamine has a molecular weight of 367.46 g/mol, XLogP of 4.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(2,2-dipyridin-3-ylethyl)phenyl]pyridine-2,5-diamine is sourced from PubChem (CID 16662311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).