3-(azetidin-3-ylmethylimino)-2-(6-chloro-1,5-naphthyridin-3-yl)prop-1-en-1-amine

C15H16ClN5 — CID 149300263

IUPAC3-(azetidin-3-ylmethylimino)-2-(6-chloro-1,5-naphthyridin-3-yl)prop-1-en-1-amine
SMILESNC=C(/C=N/CC1CNC1)c1cnc2ccc(Cl)nc2c1
InChIInChI=1S/C15H16ClN5/c16-15-2-1-13-14(21-15)3-11(9-20-13)12(4-17)8-19-7-10-5-18-6-10/h1-4,8-10,18H,5-7,17H2/b12-4?,19-8+
InChIKeyLLYSUSCCDNDJAD-QXRKQTNTSA-N
MW301.78 g/mol
LogP1.87
Rot. Bonds4

About 3-(azetidin-3-ylmethylimino)-2-(6-chloro-1,5-naphthyridin-3-yl)prop-1-en-1-amine

3-(azetidin-3-ylmethylimino)-2-(6-chloro-1,5-naphthyridin-3-yl)prop-1-en-1-amine (PubChem CID 149300263) has the molecular formula C15H16ClN5 and a molecular weight of 301.78 g/mol. Its IUPAC name is 3-(azetidin-3-ylmethylimino)-2-(6-chloro-1,5-naphthyridin-3-yl)prop-1-en-1-amine.

Molecular Properties

Compound Name3-(azetidin-3-ylmethylimino)-2-(6-chloro-1,5-naphthyridin-3-yl)prop-1-en-1-amine
PubChem CID149300263
Molecular FormulaC15H16ClN5
Molecular Weight301.78 g/mol
Exact Mass301.11
IUPAC Name3-(azetidin-3-ylmethylimino)-2-(6-chloro-1,5-naphthyridin-3-yl)prop-1-en-1-amine
SMILESNC=C(/C=N/CC1CNC1)c1cnc2ccc(Cl)nc2c1
InChIInChI=1S/C15H16ClN5/c16-15-2-1-13-14(21-15)3-11(9-20-13)12(4-17)8-19-7-10-5-18-6-10/h1-4,8-10,18H,5-7,17H2/b12-4?,19-8+
InChIKeyLLYSUSCCDNDJAD-QXRKQTNTSA-N
XLogP1.87
TPSA76.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-3-ylmethylimino)-2-(6-chloro-1,5-naphthyridin-3-yl)prop-1-en-1-amine?
The IUPAC name of 3-(azetidin-3-ylmethylimino)-2-(6-chloro-1,5-naphthyridin-3-yl)prop-1-en-1-amine (CID 149300263) is 3-(azetidin-3-ylmethylimino)-2-(6-chloro-1,5-naphthyridin-3-yl)prop-1-en-1-amine.
What is the SMILES notation for 3-(azetidin-3-ylmethylimino)-2-(6-chloro-1,5-naphthyridin-3-yl)prop-1-en-1-amine?
The canonical SMILES for 3-(azetidin-3-ylmethylimino)-2-(6-chloro-1,5-naphthyridin-3-yl)prop-1-en-1-amine is NC=C(/C=N/CC1CNC1)c1cnc2ccc(Cl)nc2c1.
What is the InChIKey of 3-(azetidin-3-ylmethylimino)-2-(6-chloro-1,5-naphthyridin-3-yl)prop-1-en-1-amine?
The InChIKey is LLYSUSCCDNDJAD-QXRKQTNTSA-N. The full InChI is InChI=1S/C15H16ClN5/c16-15-2-1-13-14(21-15)3-11(9-20-13)12(4-17)8-19-7-10-5-18-6-10/h1-4,8-10,18H,5-7,17H2/b12-4?,19-8+.
What are the key properties of 3-(azetidin-3-ylmethylimino)-2-(6-chloro-1,5-naphthyridin-3-yl)prop-1-en-1-amine?
3-(azetidin-3-ylmethylimino)-2-(6-chloro-1,5-naphthyridin-3-yl)prop-1-en-1-amine has a molecular weight of 301.78 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-3-ylmethylimino)-2-(6-chloro-1,5-naphthyridin-3-yl)prop-1-en-1-amine is sourced from PubChem (CID 149300263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).