2-[2-methoxyethyl(methylsulfonyl)amino]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-4-carboxylic acid

C16H25N3O5S — CID 59028345

IUPAC2-[2-methoxyethyl(methylsulfonyl)amino]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-4-carboxylic acid
SMILESCOCCN(c1cc(C(=O)O)cc(N(C)CC2CC2C)n1)S(C)(=O)=O
InChIInChI=1S/C16H25N3O5S/c1-11-7-13(11)10-18(2)14-8-12(16(20)21)9-15(17-14)19(5-6-24-3)25(4,22)23/h8-9,11,13H,5-7,10H2,1-4H3,(H,20,21)
InChIKeyUXXCCKYUMFJTRI-UHFFFAOYSA-N
MW371.46 g/mol
LogP1.28
Rot. Bonds9

About 2-[2-methoxyethyl(methylsulfonyl)amino]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-4-carboxylic acid

2-[2-methoxyethyl(methylsulfonyl)amino]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-4-carboxylic acid (PubChem CID 59028345) has the molecular formula C16H25N3O5S and a molecular weight of 371.46 g/mol. Its IUPAC name is 2-[2-methoxyethyl(methylsulfonyl)amino]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-methoxyethyl(methylsulfonyl)amino]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-4-carboxylic acid
PubChem CID59028345
Molecular FormulaC16H25N3O5S
Molecular Weight371.46 g/mol
Exact Mass371.15
IUPAC Name2-[2-methoxyethyl(methylsulfonyl)amino]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-4-carboxylic acid
SMILESCOCCN(c1cc(C(=O)O)cc(N(C)CC2CC2C)n1)S(C)(=O)=O
InChIInChI=1S/C16H25N3O5S/c1-11-7-13(11)10-18(2)14-8-12(16(20)21)9-15(17-14)19(5-6-24-3)25(4,22)23/h8-9,11,13H,5-7,10H2,1-4H3,(H,20,21)
InChIKeyUXXCCKYUMFJTRI-UHFFFAOYSA-N
XLogP1.28
TPSA100.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl(methylsulfonyl)amino]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-4-carboxylic acid?
The IUPAC name of 2-[2-methoxyethyl(methylsulfonyl)amino]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-4-carboxylic acid (CID 59028345) is 2-[2-methoxyethyl(methylsulfonyl)amino]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[2-methoxyethyl(methylsulfonyl)amino]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[2-methoxyethyl(methylsulfonyl)amino]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-4-carboxylic acid is COCCN(c1cc(C(=O)O)cc(N(C)CC2CC2C)n1)S(C)(=O)=O.
What is the InChIKey of 2-[2-methoxyethyl(methylsulfonyl)amino]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-4-carboxylic acid?
The InChIKey is UXXCCKYUMFJTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O5S/c1-11-7-13(11)10-18(2)14-8-12(16(20)21)9-15(17-14)19(5-6-24-3)25(4,22)23/h8-9,11,13H,5-7,10H2,1-4H3,(H,20,21).
What are the key properties of 2-[2-methoxyethyl(methylsulfonyl)amino]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-4-carboxylic acid?
2-[2-methoxyethyl(methylsulfonyl)amino]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-4-carboxylic acid has a molecular weight of 371.46 g/mol, XLogP of 1.28, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl(methylsulfonyl)amino]-6-[methyl-[(2-methylcyclopropyl)methyl]amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 59028345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).