4-[methyl-(2-methyl-6-thiophen-2-ylpyridine-3-carbonyl)amino]butanoic acid

C16H18N2O3S — CID 120513830

IUPAC4-[methyl-(2-methyl-6-thiophen-2-ylpyridine-3-carbonyl)amino]butanoic acid
SMILESCc1nc(-c2cccs2)ccc1C(=O)N(C)CCCC(=O)O
InChIInChI=1S/C16H18N2O3S/c1-11-12(16(21)18(2)9-3-6-15(19)20)7-8-13(17-11)14-5-4-10-22-14/h4-5,7-8,10H,3,6,9H2,1-2H3,(H,19,20)
InChIKeyUVQQHPGXTYXBED-UHFFFAOYSA-N
MW318.40 g/mol
LogP3.06
Rot. Bonds6

About 4-[methyl-(2-methyl-6-thiophen-2-ylpyridine-3-carbonyl)amino]butanoic acid

4-[methyl-(2-methyl-6-thiophen-2-ylpyridine-3-carbonyl)amino]butanoic acid (PubChem CID 120513830) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is 4-[methyl-(2-methyl-6-thiophen-2-ylpyridine-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl-(2-methyl-6-thiophen-2-ylpyridine-3-carbonyl)amino]butanoic acid
PubChem CID120513830
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Name4-[methyl-(2-methyl-6-thiophen-2-ylpyridine-3-carbonyl)amino]butanoic acid
SMILESCc1nc(-c2cccs2)ccc1C(=O)N(C)CCCC(=O)O
InChIInChI=1S/C16H18N2O3S/c1-11-12(16(21)18(2)9-3-6-15(19)20)7-8-13(17-11)14-5-4-10-22-14/h4-5,7-8,10H,3,6,9H2,1-2H3,(H,19,20)
InChIKeyUVQQHPGXTYXBED-UHFFFAOYSA-N
XLogP3.06
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(2-methyl-6-thiophen-2-ylpyridine-3-carbonyl)amino]butanoic acid?
The IUPAC name of 4-[methyl-(2-methyl-6-thiophen-2-ylpyridine-3-carbonyl)amino]butanoic acid (CID 120513830) is 4-[methyl-(2-methyl-6-thiophen-2-ylpyridine-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for 4-[methyl-(2-methyl-6-thiophen-2-ylpyridine-3-carbonyl)amino]butanoic acid?
The canonical SMILES for 4-[methyl-(2-methyl-6-thiophen-2-ylpyridine-3-carbonyl)amino]butanoic acid is Cc1nc(-c2cccs2)ccc1C(=O)N(C)CCCC(=O)O.
What is the InChIKey of 4-[methyl-(2-methyl-6-thiophen-2-ylpyridine-3-carbonyl)amino]butanoic acid?
The InChIKey is UVQQHPGXTYXBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-11-12(16(21)18(2)9-3-6-15(19)20)7-8-13(17-11)14-5-4-10-22-14/h4-5,7-8,10H,3,6,9H2,1-2H3,(H,19,20).
What are the key properties of 4-[methyl-(2-methyl-6-thiophen-2-ylpyridine-3-carbonyl)amino]butanoic acid?
4-[methyl-(2-methyl-6-thiophen-2-ylpyridine-3-carbonyl)amino]butanoic acid has a molecular weight of 318.40 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(2-methyl-6-thiophen-2-ylpyridine-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 120513830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).