1-(6-chloro-4-propan-2-yl-2,7-naphthyridin-1-yl)-N-methylazetidin-3-amine

C15H19ClN4 — CID 175554443

IUPAC1-(6-chloro-4-propan-2-yl-2,7-naphthyridin-1-yl)-N-methylazetidin-3-amine
SMILESCNC1CN(c2ncc(C(C)C)c3cc(Cl)ncc23)C1
InChIInChI=1S/C15H19ClN4/c1-9(2)12-5-19-15(20-7-10(8-20)17-3)13-6-18-14(16)4-11(12)13/h4-6,9-10,17H,7-8H2,1-3H3
InChIKeyRPVLKMYTJIMMRL-UHFFFAOYSA-N
MW290.80 g/mol
LogP2.81
Rot. Bonds3

About 1-(6-chloro-4-propan-2-yl-2,7-naphthyridin-1-yl)-N-methylazetidin-3-amine

1-(6-chloro-4-propan-2-yl-2,7-naphthyridin-1-yl)-N-methylazetidin-3-amine (PubChem CID 175554443) has the molecular formula C15H19ClN4 and a molecular weight of 290.80 g/mol. Its IUPAC name is 1-(6-chloro-4-propan-2-yl-2,7-naphthyridin-1-yl)-N-methylazetidin-3-amine.

Molecular Properties

Compound Name1-(6-chloro-4-propan-2-yl-2,7-naphthyridin-1-yl)-N-methylazetidin-3-amine
PubChem CID175554443
Molecular FormulaC15H19ClN4
Molecular Weight290.80 g/mol
Exact Mass290.13
IUPAC Name1-(6-chloro-4-propan-2-yl-2,7-naphthyridin-1-yl)-N-methylazetidin-3-amine
SMILESCNC1CN(c2ncc(C(C)C)c3cc(Cl)ncc23)C1
InChIInChI=1S/C15H19ClN4/c1-9(2)12-5-19-15(20-7-10(8-20)17-3)13-6-18-14(16)4-11(12)13/h4-6,9-10,17H,7-8H2,1-3H3
InChIKeyRPVLKMYTJIMMRL-UHFFFAOYSA-N
XLogP2.81
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.80
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-4-propan-2-yl-2,7-naphthyridin-1-yl)-N-methylazetidin-3-amine?
The IUPAC name of 1-(6-chloro-4-propan-2-yl-2,7-naphthyridin-1-yl)-N-methylazetidin-3-amine (CID 175554443) is 1-(6-chloro-4-propan-2-yl-2,7-naphthyridin-1-yl)-N-methylazetidin-3-amine.
What is the SMILES notation for 1-(6-chloro-4-propan-2-yl-2,7-naphthyridin-1-yl)-N-methylazetidin-3-amine?
The canonical SMILES for 1-(6-chloro-4-propan-2-yl-2,7-naphthyridin-1-yl)-N-methylazetidin-3-amine is CNC1CN(c2ncc(C(C)C)c3cc(Cl)ncc23)C1.
What is the InChIKey of 1-(6-chloro-4-propan-2-yl-2,7-naphthyridin-1-yl)-N-methylazetidin-3-amine?
The InChIKey is RPVLKMYTJIMMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4/c1-9(2)12-5-19-15(20-7-10(8-20)17-3)13-6-18-14(16)4-11(12)13/h4-6,9-10,17H,7-8H2,1-3H3.
What are the key properties of 1-(6-chloro-4-propan-2-yl-2,7-naphthyridin-1-yl)-N-methylazetidin-3-amine?
1-(6-chloro-4-propan-2-yl-2,7-naphthyridin-1-yl)-N-methylazetidin-3-amine has a molecular weight of 290.80 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-4-propan-2-yl-2,7-naphthyridin-1-yl)-N-methylazetidin-3-amine is sourced from PubChem (CID 175554443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).