2-[5-[[(6-oxo-1-propyl-3-pyridinyl)amino]methyl]thiophen-2-yl]acetic acid

C15H18N2O3S — CID 82887384

IUPAC2-[5-[[(6-oxo-1-propyl-3-pyridinyl)amino]methyl]thiophen-2-yl]acetic acid
SMILESCCCn1cc(NCc2ccc(CC(=O)O)s2)ccc1=O
InChIInChI=1S/C15H18N2O3S/c1-2-7-17-10-11(3-6-14(17)18)16-9-13-5-4-12(21-13)8-15(19)20/h3-6,10,16H,2,7-9H2,1H3,(H,19,20)
InChIKeyMJDYDBNAFPRQAM-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.56
Rot. Bonds7

About 2-[5-[[(6-oxo-1-propyl-3-pyridinyl)amino]methyl]thiophen-2-yl]acetic acid

2-[5-[[(6-oxo-1-propyl-3-pyridinyl)amino]methyl]thiophen-2-yl]acetic acid (PubChem CID 82887384) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 2-[5-[[(6-oxo-1-propyl-3-pyridinyl)amino]methyl]thiophen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[[(6-oxo-1-propyl-3-pyridinyl)amino]methyl]thiophen-2-yl]acetic acid
PubChem CID82887384
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name2-[5-[[(6-oxo-1-propyl-3-pyridinyl)amino]methyl]thiophen-2-yl]acetic acid
SMILESCCCn1cc(NCc2ccc(CC(=O)O)s2)ccc1=O
InChIInChI=1S/C15H18N2O3S/c1-2-7-17-10-11(3-6-14(17)18)16-9-13-5-4-12(21-13)8-15(19)20/h3-6,10,16H,2,7-9H2,1H3,(H,19,20)
InChIKeyMJDYDBNAFPRQAM-UHFFFAOYSA-N
XLogP2.56
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(5-ethylthiophen-2-yl)methylamino]-1-methylpyridin-2-one
CID 62345735
5-[(2-methylphenyl)methylamino]-1-propylpyridin-2-one
CID 54863932
5-[(2-chlorophenyl)methylamino]-1-propylpyridin-2-one
CID 54863887
6-oxo-6-[(6-oxo-1-propyl-3-pyridinyl)amino]hexanoic acid
CID 60933349
5-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]-1-propylpyridin-2-one
CID 60942932
5-[(2-hydroxy-5-methylphenyl)methylamino]-1-propylpyridin-2-one
CID 63324996
5-[(3-aminothiophen-2-yl)methylamino]-1-propylpyridin-2-one
CID 66386976
1-propyl-5-[(2-propylpyrazol-3-yl)methylamino]pyridin-2-one
CID 114555520
5-[(5-bromothiophen-3-yl)methylamino]-1-propylpyridin-2-one
CID 54863781
2-[5-[[(6-ethoxy-3-pyridinyl)amino]methyl]thiophen-2-yl]acetic acid
CID 82885833
5-[(5-bromo-2-hydroxyphenyl)methylamino]-1-propylpyridin-2-one
CID 107737829
2-bromo-N-(6-oxo-1-propyl-3-pyridinyl)acetamide
CID 63680838

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[(6-oxo-1-propyl-3-pyridinyl)amino]methyl]thiophen-2-yl]acetic acid?
The IUPAC name of 2-[5-[[(6-oxo-1-propyl-3-pyridinyl)amino]methyl]thiophen-2-yl]acetic acid (CID 82887384) is 2-[5-[[(6-oxo-1-propyl-3-pyridinyl)amino]methyl]thiophen-2-yl]acetic acid.
What is the SMILES notation for 2-[5-[[(6-oxo-1-propyl-3-pyridinyl)amino]methyl]thiophen-2-yl]acetic acid?
The canonical SMILES for 2-[5-[[(6-oxo-1-propyl-3-pyridinyl)amino]methyl]thiophen-2-yl]acetic acid is CCCn1cc(NCc2ccc(CC(=O)O)s2)ccc1=O.
What is the InChIKey of 2-[5-[[(6-oxo-1-propyl-3-pyridinyl)amino]methyl]thiophen-2-yl]acetic acid?
The InChIKey is MJDYDBNAFPRQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-2-7-17-10-11(3-6-14(17)18)16-9-13-5-4-12(21-13)8-15(19)20/h3-6,10,16H,2,7-9H2,1H3,(H,19,20).
What are the key properties of 2-[5-[[(6-oxo-1-propyl-3-pyridinyl)amino]methyl]thiophen-2-yl]acetic acid?
2-[5-[[(6-oxo-1-propyl-3-pyridinyl)amino]methyl]thiophen-2-yl]acetic acid has a molecular weight of 306.39 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[(6-oxo-1-propyl-3-pyridinyl)amino]methyl]thiophen-2-yl]acetic acid is sourced from PubChem (CID 82887384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).