4-(2-aminopropan-2-yl)-6-chloro-2H-2,7-naphthyridin-1-one;N,N-dimethylcyclobutanesulfinamide

C17H25ClN4O2S — CID 166483809

IUPAC4-(2-aminopropan-2-yl)-6-chloro-2H-2,7-naphthyridin-1-one;N,N-dimethylcyclobutanesulfinamide
SMILESCC(C)(N)c1c[nH]c(=O)c2cnc(Cl)cc12.CN(C)S(=O)C1CCC1
InChIInChI=1S/C11H12ClN3O.C6H13NOS/c1-11(2,13)8-5-15-10(16)7-4-14-9(12)3-6(7)8;1-7(2)9(8)6-4-3-5-6/h3-5H,13H2,1-2H3,(H,15,16);6H,3-5H2,1-2H3
InChIKeyMWXONWUVLYMTRH-UHFFFAOYSA-N
MW384.93 g/mol
LogP2.53
Rot. Bonds3

About 4-(2-aminopropan-2-yl)-6-chloro-2H-2,7-naphthyridin-1-one;N,N-dimethylcyclobutanesulfinamide

4-(2-aminopropan-2-yl)-6-chloro-2H-2,7-naphthyridin-1-one;N,N-dimethylcyclobutanesulfinamide (PubChem CID 166483809) has the molecular formula C17H25ClN4O2S and a molecular weight of 384.93 g/mol. Its IUPAC name is 4-(2-aminopropan-2-yl)-6-chloro-2H-2,7-naphthyridin-1-one;N,N-dimethylcyclobutanesulfinamide.

Molecular Properties

Compound Name4-(2-aminopropan-2-yl)-6-chloro-2H-2,7-naphthyridin-1-one;N,N-dimethylcyclobutanesulfinamide
PubChem CID166483809
Molecular FormulaC17H25ClN4O2S
Molecular Weight384.93 g/mol
Exact Mass384.14
IUPAC Name4-(2-aminopropan-2-yl)-6-chloro-2H-2,7-naphthyridin-1-one;N,N-dimethylcyclobutanesulfinamide
SMILESCC(C)(N)c1c[nH]c(=O)c2cnc(Cl)cc12.CN(C)S(=O)C1CCC1
InChIInChI=1S/C11H12ClN3O.C6H13NOS/c1-11(2,13)8-5-15-10(16)7-4-14-9(12)3-6(7)8;1-7(2)9(8)6-4-3-5-6/h3-5H,13H2,1-2H3,(H,15,16);6H,3-5H2,1-2H3
InChIKeyMWXONWUVLYMTRH-UHFFFAOYSA-N
XLogP2.53
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.93
LogP ≤ 52.53
H-Bond Donors ≤ 52
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 4-(2-aminopropan-2-yl)-6-chloro-2H-2,7-naphthyridin-1-one;N,N-dimethylcyclobutanesulfinamide?
The IUPAC name of 4-(2-aminopropan-2-yl)-6-chloro-2H-2,7-naphthyridin-1-one;N,N-dimethylcyclobutanesulfinamide (CID 166483809) is 4-(2-aminopropan-2-yl)-6-chloro-2H-2,7-naphthyridin-1-one;N,N-dimethylcyclobutanesulfinamide.
What is the SMILES notation for 4-(2-aminopropan-2-yl)-6-chloro-2H-2,7-naphthyridin-1-one;N,N-dimethylcyclobutanesulfinamide?
The canonical SMILES for 4-(2-aminopropan-2-yl)-6-chloro-2H-2,7-naphthyridin-1-one;N,N-dimethylcyclobutanesulfinamide is CC(C)(N)c1c[nH]c(=O)c2cnc(Cl)cc12.CN(C)S(=O)C1CCC1.
What is the InChIKey of 4-(2-aminopropan-2-yl)-6-chloro-2H-2,7-naphthyridin-1-one;N,N-dimethylcyclobutanesulfinamide?
The InChIKey is MWXONWUVLYMTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O.C6H13NOS/c1-11(2,13)8-5-15-10(16)7-4-14-9(12)3-6(7)8;1-7(2)9(8)6-4-3-5-6/h3-5H,13H2,1-2H3,(H,15,16);6H,3-5H2,1-2H3.
What are the key properties of 4-(2-aminopropan-2-yl)-6-chloro-2H-2,7-naphthyridin-1-one;N,N-dimethylcyclobutanesulfinamide?
4-(2-aminopropan-2-yl)-6-chloro-2H-2,7-naphthyridin-1-one;N,N-dimethylcyclobutanesulfinamide has a molecular weight of 384.93 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropan-2-yl)-6-chloro-2H-2,7-naphthyridin-1-one;N,N-dimethylcyclobutanesulfinamide is sourced from PubChem (CID 166483809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).