3-N-(4-chlorobutyl)-1,5-naphthyridine-3,4-diamine

C12H15ClN4 — CID 69000769

IUPAC3-N-(4-chlorobutyl)-1,5-naphthyridine-3,4-diamine
SMILESNc1c(NCCCCCl)cnc2cccnc12
InChIInChI=1S/C12H15ClN4/c13-5-1-2-6-15-10-8-17-9-4-3-7-16-12(9)11(10)14/h3-4,7-8,15H,1-2,5-6H2,(H2,14,17)
InChIKeyJVOKYSIBSSDVFS-UHFFFAOYSA-N
MW250.73 g/mol
LogP2.64
Rot. Bonds5

About 3-N-(4-chlorobutyl)-1,5-naphthyridine-3,4-diamine

3-N-(4-chlorobutyl)-1,5-naphthyridine-3,4-diamine (PubChem CID 69000769) has the molecular formula C12H15ClN4 and a molecular weight of 250.73 g/mol. Its IUPAC name is 3-N-(4-chlorobutyl)-1,5-naphthyridine-3,4-diamine.

Molecular Properties

Compound Name3-N-(4-chlorobutyl)-1,5-naphthyridine-3,4-diamine
PubChem CID69000769
Molecular FormulaC12H15ClN4
Molecular Weight250.73 g/mol
Exact Mass250.10
IUPAC Name3-N-(4-chlorobutyl)-1,5-naphthyridine-3,4-diamine
SMILESNc1c(NCCCCCl)cnc2cccnc12
InChIInChI=1S/C12H15ClN4/c13-5-1-2-6-15-10-8-17-9-4-3-7-16-12(9)11(10)14/h3-4,7-8,15H,1-2,5-6H2,(H2,14,17)
InChIKeyJVOKYSIBSSDVFS-UHFFFAOYSA-N
XLogP2.64
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,5-naphthyridine-3,4-diamine
CID 22172703
N-(5-chloropentyl)quinolin-4-amine
CID 107320544
3-chloro-N-(6-chlorohexyl)pyridin-4-amine
CID 107846107
N-(4-chlorobutyl)cinnolin-4-amine
CID 106845043
N-(7-chloroquinolin-4-yl)-N'-(1,5-naphthyridin-4-yl)butane-1,4-diamine
CID 155559378
N-(4-chlorobutyl)pyridin-2-amine
CID 106845032
3-bromo-N-(4-chlorobutyl)pyridin-2-amine
CID 86240809
4-[(5-aminoquinolin-6-yl)amino]butan-1-ol
CID 106840255
N-(5-chloropentyl)pyridin-2-amine
CID 107320546
6-[(5-aminoquinolin-6-yl)amino]hexan-1-ol
CID 107844066
N-(5-chloropentyl)-3-methylpyridin-4-amine
CID 107320518
5-N-(5-methylhexyl)quinoline-5,8-diamine
CID 115324702

Frequently Asked Questions

What is the IUPAC name of 3-N-(4-chlorobutyl)-1,5-naphthyridine-3,4-diamine?
The IUPAC name of 3-N-(4-chlorobutyl)-1,5-naphthyridine-3,4-diamine (CID 69000769) is 3-N-(4-chlorobutyl)-1,5-naphthyridine-3,4-diamine.
What is the SMILES notation for 3-N-(4-chlorobutyl)-1,5-naphthyridine-3,4-diamine?
The canonical SMILES for 3-N-(4-chlorobutyl)-1,5-naphthyridine-3,4-diamine is Nc1c(NCCCCCl)cnc2cccnc12.
What is the InChIKey of 3-N-(4-chlorobutyl)-1,5-naphthyridine-3,4-diamine?
The InChIKey is JVOKYSIBSSDVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4/c13-5-1-2-6-15-10-8-17-9-4-3-7-16-12(9)11(10)14/h3-4,7-8,15H,1-2,5-6H2,(H2,14,17).
What are the key properties of 3-N-(4-chlorobutyl)-1,5-naphthyridine-3,4-diamine?
3-N-(4-chlorobutyl)-1,5-naphthyridine-3,4-diamine has a molecular weight of 250.73 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4-chlorobutyl)-1,5-naphthyridine-3,4-diamine is sourced from PubChem (CID 69000769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).