2-[3-(cyclopropylamino)-3-oxopropyl]sulfanylpyridine-3-carboxylic acid

C12H14N2O3S — CID 62625755

IUPAC2-[3-(cyclopropylamino)-3-oxopropyl]sulfanylpyridine-3-carboxylic acid
SMILESO=C(CCSc1ncccc1C(=O)O)NC1CC1
InChIInChI=1S/C12H14N2O3S/c15-10(14-8-3-4-8)5-7-18-11-9(12(16)17)2-1-6-13-11/h1-2,6,8H,3-5,7H2,(H,14,15)(H,16,17)
InChIKeyFSFFRRXTURINEU-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.54
Rot. Bonds6

About 2-[3-(cyclopropylamino)-3-oxopropyl]sulfanylpyridine-3-carboxylic acid

2-[3-(cyclopropylamino)-3-oxopropyl]sulfanylpyridine-3-carboxylic acid (PubChem CID 62625755) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-[3-(cyclopropylamino)-3-oxopropyl]sulfanylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[3-(cyclopropylamino)-3-oxopropyl]sulfanylpyridine-3-carboxylic acid
PubChem CID62625755
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name2-[3-(cyclopropylamino)-3-oxopropyl]sulfanylpyridine-3-carboxylic acid
SMILESO=C(CCSc1ncccc1C(=O)O)NC1CC1
InChIInChI=1S/C12H14N2O3S/c15-10(14-8-3-4-8)5-7-18-11-9(12(16)17)2-1-6-13-11/h1-2,6,8H,3-5,7H2,(H,14,15)(H,16,17)
InChIKeyFSFFRRXTURINEU-UHFFFAOYSA-N
XLogP1.54
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-(cyclopropylamino)-4-oxobutyl]carbamoyl]pyridine-3-carboxylic acid
CID 79377281
2-(2-fluoroethylsulfanyl)pyridine-3-carboxylic acid
CID 80700083
2-(2-aminoethylsulfanyl)pyridine-3-carboxylic acid;hydrochloride
CID 70452935
2-[2-(cyclooctylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylate
CID 2403044
2-but-3-ynylsulfanylpyridine-3-carboxylic acid
CID 24691069
2-[2-(3-methoxypropoxy)ethylsulfanyl]pyridine-3-carboxylic acid
CID 103177403
N-cyclopropyl-2-prop-2-enylsulfanylpyridine-3-carboxamide
CID 15994001
N-(4-tert-butylcyclohexyl)-2-propylsulfanylpyridine-3-carboxamide
CID 44760772
2-(2-phenoxyethylsulfanyl)pyridine-3-carboxylic acid
CID 43238191
2-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]pyridine-3-carboxylic acid
CID 82889436
2-[2-(4-methylphenyl)sulfanylethylsulfanyl]pyridine-3-carboxylic acid
CID 43240998
2-(2-pyridin-3-ylethylsulfanyl)pyridine-3-carboxylic acid
CID 63265060

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclopropylamino)-3-oxopropyl]sulfanylpyridine-3-carboxylic acid?
The IUPAC name of 2-[3-(cyclopropylamino)-3-oxopropyl]sulfanylpyridine-3-carboxylic acid (CID 62625755) is 2-[3-(cyclopropylamino)-3-oxopropyl]sulfanylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-[3-(cyclopropylamino)-3-oxopropyl]sulfanylpyridine-3-carboxylic acid?
The canonical SMILES for 2-[3-(cyclopropylamino)-3-oxopropyl]sulfanylpyridine-3-carboxylic acid is O=C(CCSc1ncccc1C(=O)O)NC1CC1.
What is the InChIKey of 2-[3-(cyclopropylamino)-3-oxopropyl]sulfanylpyridine-3-carboxylic acid?
The InChIKey is FSFFRRXTURINEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c15-10(14-8-3-4-8)5-7-18-11-9(12(16)17)2-1-6-13-11/h1-2,6,8H,3-5,7H2,(H,14,15)(H,16,17).
What are the key properties of 2-[3-(cyclopropylamino)-3-oxopropyl]sulfanylpyridine-3-carboxylic acid?
2-[3-(cyclopropylamino)-3-oxopropyl]sulfanylpyridine-3-carboxylic acid has a molecular weight of 266.32 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclopropylamino)-3-oxopropyl]sulfanylpyridine-3-carboxylic acid is sourced from PubChem (CID 62625755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).