2-amino-6-(2-methoxy-5-propan-2-ylphenyl)sulfonyl-N,N-dimethyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide

C21H28N4O4S — CID 110085393

IUPAC2-amino-6-(2-methoxy-5-propan-2-ylphenyl)sulfonyl-N,N-dimethyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide
SMILESCOc1ccc(C(C)C)cc1S(=O)(=O)N1CCc2nc(N)c(C(=O)N(C)C)cc2C1
InChIInChI=1S/C21H28N4O4S/c1-13(2)14-6-7-18(29-5)19(11-14)30(27,28)25-9-8-17-15(12-25)10-16(20(22)23-17)21(26)24(3)4/h6-7,10-11,13H,8-9,12H2,1-5H3,(H2,22,23)
InChIKeyLVZFPRZABWEPLK-UHFFFAOYSA-N
MW432.55 g/mol
LogP2.24
Rot. Bonds5

About 2-amino-6-(2-methoxy-5-propan-2-ylphenyl)sulfonyl-N,N-dimethyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide

2-amino-6-(2-methoxy-5-propan-2-ylphenyl)sulfonyl-N,N-dimethyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide (PubChem CID 110085393) has the molecular formula C21H28N4O4S and a molecular weight of 432.55 g/mol. Its IUPAC name is 2-amino-6-(2-methoxy-5-propan-2-ylphenyl)sulfonyl-N,N-dimethyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-(2-methoxy-5-propan-2-ylphenyl)sulfonyl-N,N-dimethyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide
PubChem CID110085393
Molecular FormulaC21H28N4O4S
Molecular Weight432.55 g/mol
Exact Mass432.18
IUPAC Name2-amino-6-(2-methoxy-5-propan-2-ylphenyl)sulfonyl-N,N-dimethyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide
SMILESCOc1ccc(C(C)C)cc1S(=O)(=O)N1CCc2nc(N)c(C(=O)N(C)C)cc2C1
InChIInChI=1S/C21H28N4O4S/c1-13(2)14-6-7-18(29-5)19(11-14)30(27,28)25-9-8-17-15(12-25)10-16(20(22)23-17)21(26)24(3)4/h6-7,10-11,13H,8-9,12H2,1-5H3,(H2,22,23)
InChIKeyLVZFPRZABWEPLK-UHFFFAOYSA-N
XLogP2.24
TPSA105.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2-methoxy-5-propan-2-ylphenyl)sulfonyl-N,N-dimethyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide?
The IUPAC name of 2-amino-6-(2-methoxy-5-propan-2-ylphenyl)sulfonyl-N,N-dimethyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide (CID 110085393) is 2-amino-6-(2-methoxy-5-propan-2-ylphenyl)sulfonyl-N,N-dimethyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide.
What is the SMILES notation for 2-amino-6-(2-methoxy-5-propan-2-ylphenyl)sulfonyl-N,N-dimethyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide?
The canonical SMILES for 2-amino-6-(2-methoxy-5-propan-2-ylphenyl)sulfonyl-N,N-dimethyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide is COc1ccc(C(C)C)cc1S(=O)(=O)N1CCc2nc(N)c(C(=O)N(C)C)cc2C1.
What is the InChIKey of 2-amino-6-(2-methoxy-5-propan-2-ylphenyl)sulfonyl-N,N-dimethyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide?
The InChIKey is LVZFPRZABWEPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O4S/c1-13(2)14-6-7-18(29-5)19(11-14)30(27,28)25-9-8-17-15(12-25)10-16(20(22)23-17)21(26)24(3)4/h6-7,10-11,13H,8-9,12H2,1-5H3,(H2,22,23).
What are the key properties of 2-amino-6-(2-methoxy-5-propan-2-ylphenyl)sulfonyl-N,N-dimethyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide?
2-amino-6-(2-methoxy-5-propan-2-ylphenyl)sulfonyl-N,N-dimethyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide has a molecular weight of 432.55 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2-methoxy-5-propan-2-ylphenyl)sulfonyl-N,N-dimethyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide is sourced from PubChem (CID 110085393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).