5-[(cyclobutylmethylcarbamoylamino)methyl]pyridine-2-carboxylic acid

C13H17N3O3 — CID 81096105

IUPAC5-[(cyclobutylmethylcarbamoylamino)methyl]pyridine-2-carboxylic acid
SMILESO=C(NCc1ccc(C(=O)O)nc1)NCC1CCC1
InChIInChI=1S/C13H17N3O3/c17-12(18)11-5-4-10(7-14-11)8-16-13(19)15-6-9-2-1-3-9/h4-5,7,9H,1-3,6,8H2,(H,17,18)(H2,15,16,19)
InChIKeyOESUDICTTLMZDY-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.38
Rot. Bonds5

About 5-[(cyclobutylmethylcarbamoylamino)methyl]pyridine-2-carboxylic acid

5-[(cyclobutylmethylcarbamoylamino)methyl]pyridine-2-carboxylic acid (PubChem CID 81096105) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 5-[(cyclobutylmethylcarbamoylamino)methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(cyclobutylmethylcarbamoylamino)methyl]pyridine-2-carboxylic acid
PubChem CID81096105
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name5-[(cyclobutylmethylcarbamoylamino)methyl]pyridine-2-carboxylic acid
SMILESO=C(NCc1ccc(C(=O)O)nc1)NCC1CCC1
InChIInChI=1S/C13H17N3O3/c17-12(18)11-5-4-10(7-14-11)8-16-13(19)15-6-9-2-1-3-9/h4-5,7,9H,1-3,6,8H2,(H,17,18)(H2,15,16,19)
InChIKeyOESUDICTTLMZDY-UHFFFAOYSA-N
XLogP1.38
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-[(cyclobutylmethylcarbamoylamino)methyl]pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(thiolan-3-ylmethylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 107297439
5-[[(3-methylcyclopentyl)methylcarbamoylamino]methyl]pyridine-2-carboxylic acid
CID 107414510
5-[[(2-methylcyclopropyl)methylcarbamoylamino]methyl]pyridine-2-carboxylic acid
CID 113464038
5-(cyclobutylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 43427412
2-[(cyclobutylmethylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66379771
5-[(thiophen-3-ylmethylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 81095921
5-[(2-bromoprop-2-enylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 113465161
5-[(2-bicyclo[2.2.1]heptanylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 81090023
5-[(2-butoxyethylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 81090732
1-(cyclobutylmethyl)-3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]urea
CID 51084393
5-[[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]methyl]pyridine-2-carboxylic acid
CID 81096284
5-[[[3-(methylamino)-3-oxopropyl]carbamoylamino]methyl]pyridine-2-carboxylic acid
CID 81096535

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclobutylmethylcarbamoylamino)methyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[(cyclobutylmethylcarbamoylamino)methyl]pyridine-2-carboxylic acid (CID 81096105) is 5-[(cyclobutylmethylcarbamoylamino)methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(cyclobutylmethylcarbamoylamino)methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[(cyclobutylmethylcarbamoylamino)methyl]pyridine-2-carboxylic acid is O=C(NCc1ccc(C(=O)O)nc1)NCC1CCC1.
What is the InChIKey of 5-[(cyclobutylmethylcarbamoylamino)methyl]pyridine-2-carboxylic acid?
The InChIKey is OESUDICTTLMZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c17-12(18)11-5-4-10(7-14-11)8-16-13(19)15-6-9-2-1-3-9/h4-5,7,9H,1-3,6,8H2,(H,17,18)(H2,15,16,19).
What are the key properties of 5-[(cyclobutylmethylcarbamoylamino)methyl]pyridine-2-carboxylic acid?
5-[(cyclobutylmethylcarbamoylamino)methyl]pyridine-2-carboxylic acid has a molecular weight of 263.30 g/mol, XLogP of 1.38, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclobutylmethylcarbamoylamino)methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 81096105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).