N-methyl-N'-(3-pyridin-4-yl-2,6-naphthyridin-1-yl)ethane-1,2-diamine

C16H17N5 — CID 25113021

IUPACN-methyl-N'-(3-pyridin-4-yl-2,6-naphthyridin-1-yl)ethane-1,2-diamine
SMILESCNCCNc1nc(-c2ccncc2)cc2cnccc12
InChIInChI=1S/C16H17N5/c1-17-8-9-20-16-14-4-7-19-11-13(14)10-15(21-16)12-2-5-18-6-3-12/h2-7,10-11,17H,8-9H2,1H3,(H,20,21)
InChIKeyGIVLJYSTNKNCGZ-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.32
Rot. Bonds5

About N-methyl-N'-(3-pyridin-4-yl-2,6-naphthyridin-1-yl)ethane-1,2-diamine

N-methyl-N'-(3-pyridin-4-yl-2,6-naphthyridin-1-yl)ethane-1,2-diamine (PubChem CID 25113021) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is N-methyl-N'-(3-pyridin-4-yl-2,6-naphthyridin-1-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N'-(3-pyridin-4-yl-2,6-naphthyridin-1-yl)ethane-1,2-diamine
PubChem CID25113021
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC NameN-methyl-N'-(3-pyridin-4-yl-2,6-naphthyridin-1-yl)ethane-1,2-diamine
SMILESCNCCNc1nc(-c2ccncc2)cc2cnccc12
InChIInChI=1S/C16H17N5/c1-17-8-9-20-16-14-4-7-19-11-13(14)10-15(21-16)12-2-5-18-6-3-12/h2-7,10-11,17H,8-9H2,1H3,(H,20,21)
InChIKeyGIVLJYSTNKNCGZ-UHFFFAOYSA-N
XLogP2.32
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-(3-pyridin-4-yl-2,6-naphthyridin-1-yl)ethane-1,2-diamine?
The IUPAC name of N-methyl-N'-(3-pyridin-4-yl-2,6-naphthyridin-1-yl)ethane-1,2-diamine (CID 25113021) is N-methyl-N'-(3-pyridin-4-yl-2,6-naphthyridin-1-yl)ethane-1,2-diamine.
What is the SMILES notation for N-methyl-N'-(3-pyridin-4-yl-2,6-naphthyridin-1-yl)ethane-1,2-diamine?
The canonical SMILES for N-methyl-N'-(3-pyridin-4-yl-2,6-naphthyridin-1-yl)ethane-1,2-diamine is CNCCNc1nc(-c2ccncc2)cc2cnccc12.
What is the InChIKey of N-methyl-N'-(3-pyridin-4-yl-2,6-naphthyridin-1-yl)ethane-1,2-diamine?
The InChIKey is GIVLJYSTNKNCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c1-17-8-9-20-16-14-4-7-19-11-13(14)10-15(21-16)12-2-5-18-6-3-12/h2-7,10-11,17H,8-9H2,1H3,(H,20,21).
What are the key properties of N-methyl-N'-(3-pyridin-4-yl-2,6-naphthyridin-1-yl)ethane-1,2-diamine?
N-methyl-N'-(3-pyridin-4-yl-2,6-naphthyridin-1-yl)ethane-1,2-diamine has a molecular weight of 279.35 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-(3-pyridin-4-yl-2,6-naphthyridin-1-yl)ethane-1,2-diamine is sourced from PubChem (CID 25113021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).