N,N-dimethyl-1,8-naphthyridin-4-amine;methyl 2-methyl-2-thiophen-2-ylpropanoate

C19H23N3O2S — CID 174330342

IUPACN,N-dimethyl-1,8-naphthyridin-4-amine;methyl 2-methyl-2-thiophen-2-ylpropanoate
SMILESCN(C)c1ccnc2ncccc12.COC(=O)C(C)(C)c1cccs1
InChIInChI=1S/C10H11N3.C9H12O2S/c1-13(2)9-5-7-12-10-8(9)4-3-6-11-10;1-9(2,8(10)11-3)7-5-4-6-12-7/h3-7H,1-2H3;4-6H,1-3H3
InChIKeyVTHRHHRBSJYHOT-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.89
Rot. Bonds3

About N,N-dimethyl-1,8-naphthyridin-4-amine;methyl 2-methyl-2-thiophen-2-ylpropanoate

N,N-dimethyl-1,8-naphthyridin-4-amine;methyl 2-methyl-2-thiophen-2-ylpropanoate (PubChem CID 174330342) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is N,N-dimethyl-1,8-naphthyridin-4-amine;methyl 2-methyl-2-thiophen-2-ylpropanoate.

Molecular Properties

Compound NameN,N-dimethyl-1,8-naphthyridin-4-amine;methyl 2-methyl-2-thiophen-2-ylpropanoate
PubChem CID174330342
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC NameN,N-dimethyl-1,8-naphthyridin-4-amine;methyl 2-methyl-2-thiophen-2-ylpropanoate
SMILESCN(C)c1ccnc2ncccc12.COC(=O)C(C)(C)c1cccs1
InChIInChI=1S/C10H11N3.C9H12O2S/c1-13(2)9-5-7-12-10-8(9)4-3-6-11-10;1-9(2,8(10)11-3)7-5-4-6-12-7/h3-7H,1-2H3;4-6H,1-3H3
InChIKeyVTHRHHRBSJYHOT-UHFFFAOYSA-N
XLogP3.89
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1,8-naphthyridin-4-amine;methyl 2-methyl-2-thiophen-2-ylpropanoate?
The IUPAC name of N,N-dimethyl-1,8-naphthyridin-4-amine;methyl 2-methyl-2-thiophen-2-ylpropanoate (CID 174330342) is N,N-dimethyl-1,8-naphthyridin-4-amine;methyl 2-methyl-2-thiophen-2-ylpropanoate.
What is the SMILES notation for N,N-dimethyl-1,8-naphthyridin-4-amine;methyl 2-methyl-2-thiophen-2-ylpropanoate?
The canonical SMILES for N,N-dimethyl-1,8-naphthyridin-4-amine;methyl 2-methyl-2-thiophen-2-ylpropanoate is CN(C)c1ccnc2ncccc12.COC(=O)C(C)(C)c1cccs1.
What is the InChIKey of N,N-dimethyl-1,8-naphthyridin-4-amine;methyl 2-methyl-2-thiophen-2-ylpropanoate?
The InChIKey is VTHRHHRBSJYHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3.C9H12O2S/c1-13(2)9-5-7-12-10-8(9)4-3-6-11-10;1-9(2,8(10)11-3)7-5-4-6-12-7/h3-7H,1-2H3;4-6H,1-3H3.
What are the key properties of N,N-dimethyl-1,8-naphthyridin-4-amine;methyl 2-methyl-2-thiophen-2-ylpropanoate?
N,N-dimethyl-1,8-naphthyridin-4-amine;methyl 2-methyl-2-thiophen-2-ylpropanoate has a molecular weight of 357.48 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1,8-naphthyridin-4-amine;methyl 2-methyl-2-thiophen-2-ylpropanoate is sourced from PubChem (CID 174330342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).