5-[(2-thiophen-3-ylethylcarbamoylamino)methyl]pyridine-2-carboxylic acid

C14H15N3O3S — CID 81090537

IUPAC5-[(2-thiophen-3-ylethylcarbamoylamino)methyl]pyridine-2-carboxylic acid
SMILESO=C(NCCc1ccsc1)NCc1ccc(C(=O)O)nc1
InChIInChI=1S/C14H15N3O3S/c18-13(19)12-2-1-11(7-16-12)8-17-14(20)15-5-3-10-4-6-21-9-10/h1-2,4,6-7,9H,3,5,8H2,(H,18,19)(H2,15,17,20)
InChIKeyVABVZEDOFYPZGU-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.88
Rot. Bonds6

About 5-[(2-thiophen-3-ylethylcarbamoylamino)methyl]pyridine-2-carboxylic acid

5-[(2-thiophen-3-ylethylcarbamoylamino)methyl]pyridine-2-carboxylic acid (PubChem CID 81090537) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 5-[(2-thiophen-3-ylethylcarbamoylamino)methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-thiophen-3-ylethylcarbamoylamino)methyl]pyridine-2-carboxylic acid
PubChem CID81090537
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name5-[(2-thiophen-3-ylethylcarbamoylamino)methyl]pyridine-2-carboxylic acid
SMILESO=C(NCCc1ccsc1)NCc1ccc(C(=O)O)nc1
InChIInChI=1S/C14H15N3O3S/c18-13(19)12-2-1-11(7-16-12)8-17-14(20)15-5-3-10-4-6-21-9-10/h1-2,4,6-7,9H,3,5,8H2,(H,18,19)(H2,15,17,20)
InChIKeyVABVZEDOFYPZGU-UHFFFAOYSA-N
XLogP1.88
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(thiophen-3-ylmethylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 81095921
2-[2-(thiophen-3-ylmethylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373008
5-[[[3-(methylamino)-3-oxopropyl]carbamoylamino]methyl]pyridine-2-carboxylic acid
CID 81096535
5-[[(4-bromothiophen-2-yl)methylcarbamoylamino]methyl]pyridine-2-carboxylic acid
CID 81090020
5-[[(5-amino-5-oxopentyl)carbamoylamino]methyl]pyridine-2-carboxylic acid
CID 106238714
5-[(3-sulfamoylpropylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 81090654
5-[(2-bromoprop-2-enylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 113465161
3-(thiophen-3-ylmethylcarbamoylamino)propanoic acid
CID 63244721
4-(2-thiophen-3-ylethylcarbamoyl)pyridine-2-carboxylic acid
CID 113352919
5-[(2-pyrazol-1-ylethylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 81090461
5-[(2-butoxyethylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 81090732
5-[[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]methyl]pyridine-2-carboxylic acid
CID 81096284

Frequently Asked Questions

What is the IUPAC name of 5-[(2-thiophen-3-ylethylcarbamoylamino)methyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[(2-thiophen-3-ylethylcarbamoylamino)methyl]pyridine-2-carboxylic acid (CID 81090537) is 5-[(2-thiophen-3-ylethylcarbamoylamino)methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(2-thiophen-3-ylethylcarbamoylamino)methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[(2-thiophen-3-ylethylcarbamoylamino)methyl]pyridine-2-carboxylic acid is O=C(NCCc1ccsc1)NCc1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[(2-thiophen-3-ylethylcarbamoylamino)methyl]pyridine-2-carboxylic acid?
The InChIKey is VABVZEDOFYPZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c18-13(19)12-2-1-11(7-16-12)8-17-14(20)15-5-3-10-4-6-21-9-10/h1-2,4,6-7,9H,3,5,8H2,(H,18,19)(H2,15,17,20).
What are the key properties of 5-[(2-thiophen-3-ylethylcarbamoylamino)methyl]pyridine-2-carboxylic acid?
5-[(2-thiophen-3-ylethylcarbamoylamino)methyl]pyridine-2-carboxylic acid has a molecular weight of 305.36 g/mol, XLogP of 1.88, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-thiophen-3-ylethylcarbamoylamino)methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 81090537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).