5-[[(2-methylcyclopropyl)methylcarbamoylamino]methyl]pyridine-2-carboxylic acid

C13H17N3O3 — CID 113464038

IUPAC5-[[(2-methylcyclopropyl)methylcarbamoylamino]methyl]pyridine-2-carboxylic acid
SMILESCC1CC1CNC(=O)NCc1ccc(C(=O)O)nc1
InChIInChI=1S/C13H17N3O3/c1-8-4-10(8)7-16-13(19)15-6-9-2-3-11(12(17)18)14-5-9/h2-3,5,8,10H,4,6-7H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyLUERVBURQVSBRY-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.24
Rot. Bonds5

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

5-[[(2-methylcyclopropyl)methylcarbamoylamino]methyl]pyridine-2-carboxylic acid (PubChem CID 113464038) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 5-[[(2-methylcyclopropyl)methylcarbamoylamino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(2-methylcyclopropyl)methylcarbamoylamino]methyl]pyridine-2-carboxylic acid
PubChem CID113464038
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name5-[[(2-methylcyclopropyl)methylcarbamoylamino]methyl]pyridine-2-carboxylic acid
SMILESCC1CC1CNC(=O)NCc1ccc(C(=O)O)nc1
InChIInChI=1S/C13H17N3O3/c1-8-4-10(8)7-16-13(19)15-6-9-2-3-11(12(17)18)14-5-9/h2-3,5,8,10H,4,6-7H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyLUERVBURQVSBRY-UHFFFAOYSA-N
XLogP1.24
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 ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[(3-methylcyclopentyl)methylcarbamoylamino]methyl]pyridine-2-carboxylic acid
CID 107414510
5-[(cyclobutylmethylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 81096105
5-[[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]methyl]pyridine-2-carboxylic acid
CID 81096371
5-[(thiolan-3-ylmethylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 107297439
5-[[[3-(methylamino)-3-oxopropyl]carbamoylamino]methyl]pyridine-2-carboxylic acid
CID 81096535
5-[[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]methyl]pyridine-2-carboxylic acid
CID 81096284
5-[(2-methylcyclopropyl)methylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685133
3-[[(2-methylcyclopropyl)methylcarbamoylamino]methyl]benzoic acid
CID 113464047
5-[(thiophen-3-ylmethylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 81095921
5-[(2-bromoprop-2-enylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 113465161
5-[[(4-methylpiperazin-1-yl)carbamoylamino]methyl]pyridine-2-carboxylic acid
CID 83017675
5-[(2-bicyclo[2.2.1]heptanylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 81090023

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-methylcyclopropyl)methylcarbamoylamino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[(2-methylcyclopropyl)methylcarbamoylamino]methyl]pyridine-2-carboxylic acid (CID 113464038) is 5-[[(2-methylcyclopropyl)methylcarbamoylamino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[(2-methylcyclopropyl)methylcarbamoylamino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[(2-methylcyclopropyl)methylcarbamoylamino]methyl]pyridine-2-carboxylic acid is CC1CC1CNC(=O)NCc1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[[(2-methylcyclopropyl)methylcarbamoylamino]methyl]pyridine-2-carboxylic acid?
The InChIKey is LUERVBURQVSBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-8-4-10(8)7-16-13(19)15-6-9-2-3-11(12(17)18)14-5-9/h2-3,5,8,10H,4,6-7H2,1H3,(H,17,18)(H2,15,16,19).
What are the key properties of 5-[[(2-methylcyclopropyl)methylcarbamoylamino]methyl]pyridine-2-carboxylic acid?
5-[[(2-methylcyclopropyl)methylcarbamoylamino]methyl]pyridine-2-carboxylic acid has a molecular weight of 263.30 g/mol, XLogP of 1.24, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-methylcyclopropyl)methylcarbamoylamino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 113464038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).