5-[(2-pyrazol-1-ylethylcarbamoylamino)methyl]pyridine-2-carboxylic acid

C13H15N5O3 — CID 81090461

IUPAC5-[(2-pyrazol-1-ylethylcarbamoylamino)methyl]pyridine-2-carboxylic acid
SMILESO=C(NCCn1cccn1)NCc1ccc(C(=O)O)nc1
InChIInChI=1S/C13H15N5O3/c19-12(20)11-3-2-10(8-15-11)9-16-13(21)14-5-7-18-6-1-4-17-18/h1-4,6,8H,5,7,9H2,(H,19,20)(H2,14,16,21)
InChIKeyMMEWILATIGPNIX-UHFFFAOYSA-N
MW289.30 g/mol
LogP0.48
Rot. Bonds6

About 5-[(2-pyrazol-1-ylethylcarbamoylamino)methyl]pyridine-2-carboxylic acid

5-[(2-pyrazol-1-ylethylcarbamoylamino)methyl]pyridine-2-carboxylic acid (PubChem CID 81090461) has the molecular formula C13H15N5O3 and a molecular weight of 289.30 g/mol. Its IUPAC name is 5-[(2-pyrazol-1-ylethylcarbamoylamino)methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-pyrazol-1-ylethylcarbamoylamino)methyl]pyridine-2-carboxylic acid
PubChem CID81090461
Molecular FormulaC13H15N5O3
Molecular Weight289.30 g/mol
Exact Mass289.12
IUPAC Name5-[(2-pyrazol-1-ylethylcarbamoylamino)methyl]pyridine-2-carboxylic acid
SMILESO=C(NCCn1cccn1)NCc1ccc(C(=O)O)nc1
InChIInChI=1S/C13H15N5O3/c19-12(20)11-3-2-10(8-15-11)9-16-13(21)14-5-7-18-6-1-4-17-18/h1-4,6,8H,5,7,9H2,(H,19,20)(H2,14,16,21)
InChIKeyMMEWILATIGPNIX-UHFFFAOYSA-N
XLogP0.48
TPSA109.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[[3-(methylamino)-3-oxopropyl]carbamoylamino]methyl]pyridine-2-carboxylic acid
CID 81096535
5-[[(5-amino-5-oxopentyl)carbamoylamino]methyl]pyridine-2-carboxylic acid
CID 106238714
5-[(2-butoxyethylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 81090732
5-[(3-sulfamoylpropylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 81090654
2-(2-pyrazol-1-ylethylcarbamoylamino)acetic acid
CID 61461230
1-phenyl-3-(2-pyrazol-1-ylethyl)urea
CID 110747699
5-[[(1-methylpyrazol-4-yl)carbamoylamino]methyl]pyridine-2-carboxylic acid
CID 81095436
5-[(2-thiophen-3-ylethylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 81090537
5-[(2-bromoprop-2-enylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 113465161
5-[(thiophen-3-ylmethylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 81095921
1-(5-fluoro-2-pyridinyl)-3-(2-pyrazol-1-ylethyl)urea
CID 99599215
5-[[(4-methylpiperazin-1-yl)carbamoylamino]methyl]pyridine-2-carboxylic acid
CID 83017675

Frequently Asked Questions

What is the IUPAC name of 5-[(2-pyrazol-1-ylethylcarbamoylamino)methyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[(2-pyrazol-1-ylethylcarbamoylamino)methyl]pyridine-2-carboxylic acid (CID 81090461) is 5-[(2-pyrazol-1-ylethylcarbamoylamino)methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(2-pyrazol-1-ylethylcarbamoylamino)methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[(2-pyrazol-1-ylethylcarbamoylamino)methyl]pyridine-2-carboxylic acid is O=C(NCCn1cccn1)NCc1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[(2-pyrazol-1-ylethylcarbamoylamino)methyl]pyridine-2-carboxylic acid?
The InChIKey is MMEWILATIGPNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O3/c19-12(20)11-3-2-10(8-15-11)9-16-13(21)14-5-7-18-6-1-4-17-18/h1-4,6,8H,5,7,9H2,(H,19,20)(H2,14,16,21).
What are the key properties of 5-[(2-pyrazol-1-ylethylcarbamoylamino)methyl]pyridine-2-carboxylic acid?
5-[(2-pyrazol-1-ylethylcarbamoylamino)methyl]pyridine-2-carboxylic acid has a molecular weight of 289.30 g/mol, XLogP of 0.48, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-pyrazol-1-ylethylcarbamoylamino)methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 81090461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).