3-N-[(3-pyridin-3-ylphenyl)methyl]pyridine-2,3-diamine

C17H16N4 — CID 11701820

IUPAC3-N-[(3-pyridin-3-ylphenyl)methyl]pyridine-2,3-diamine
SMILESNc1ncccc1NCc1cccc(-c2cccnc2)c1
InChIInChI=1S/C17H16N4/c18-17-16(7-3-9-20-17)21-11-13-4-1-5-14(10-13)15-6-2-8-19-12-15/h1-10,12,21H,11H2,(H2,18,20)
InChIKeyNQSBHBFOOVYRNM-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.34
Rot. Bonds4

About 3-N-[(3-pyridin-3-ylphenyl)methyl]pyridine-2,3-diamine

3-N-[(3-pyridin-3-ylphenyl)methyl]pyridine-2,3-diamine (PubChem CID 11701820) has the molecular formula C17H16N4 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-N-[(3-pyridin-3-ylphenyl)methyl]pyridine-2,3-diamine.

Molecular Properties

Compound Name3-N-[(3-pyridin-3-ylphenyl)methyl]pyridine-2,3-diamine
PubChem CID11701820
Molecular FormulaC17H16N4
Molecular Weight276.34 g/mol
Exact Mass276.14
IUPAC Name3-N-[(3-pyridin-3-ylphenyl)methyl]pyridine-2,3-diamine
SMILESNc1ncccc1NCc1cccc(-c2cccnc2)c1
InChIInChI=1S/C17H16N4/c18-17-16(7-3-9-20-17)21-11-13-4-1-5-14(10-13)15-6-2-8-19-12-15/h1-10,12,21H,11H2,(H2,18,20)
InChIKeyNQSBHBFOOVYRNM-UHFFFAOYSA-N
XLogP3.34
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N-[(3-pyridin-3-ylphenyl)methyl]pyridine-2,3-diamine?
The IUPAC name of 3-N-[(3-pyridin-3-ylphenyl)methyl]pyridine-2,3-diamine (CID 11701820) is 3-N-[(3-pyridin-3-ylphenyl)methyl]pyridine-2,3-diamine.
What is the SMILES notation for 3-N-[(3-pyridin-3-ylphenyl)methyl]pyridine-2,3-diamine?
The canonical SMILES for 3-N-[(3-pyridin-3-ylphenyl)methyl]pyridine-2,3-diamine is Nc1ncccc1NCc1cccc(-c2cccnc2)c1.
What is the InChIKey of 3-N-[(3-pyridin-3-ylphenyl)methyl]pyridine-2,3-diamine?
The InChIKey is NQSBHBFOOVYRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4/c18-17-16(7-3-9-20-17)21-11-13-4-1-5-14(10-13)15-6-2-8-19-12-15/h1-10,12,21H,11H2,(H2,18,20).
What are the key properties of 3-N-[(3-pyridin-3-ylphenyl)methyl]pyridine-2,3-diamine?
3-N-[(3-pyridin-3-ylphenyl)methyl]pyridine-2,3-diamine has a molecular weight of 276.34 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(3-pyridin-3-ylphenyl)methyl]pyridine-2,3-diamine is sourced from PubChem (CID 11701820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).