3-[(3-methylcyclopentyl)methylcarbamoylamino]pyridine-2-carboxylic acid

C14H19N3O3 — CID 107414579

IUPAC3-[(3-methylcyclopentyl)methylcarbamoylamino]pyridine-2-carboxylic acid
SMILESCC1CCC(CNC(=O)Nc2cccnc2C(=O)O)C1
InChIInChI=1S/C14H19N3O3/c1-9-4-5-10(7-9)8-16-14(20)17-11-3-2-6-15-12(11)13(18)19/h2-3,6,9-10H,4-5,7-8H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyBXJDHWBELDEBAT-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.34
Rot. Bonds4

About 3-[(3-methylcyclopentyl)methylcarbamoylamino]pyridine-2-carboxylic acid

3-[(3-methylcyclopentyl)methylcarbamoylamino]pyridine-2-carboxylic acid (PubChem CID 107414579) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 3-[(3-methylcyclopentyl)methylcarbamoylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(3-methylcyclopentyl)methylcarbamoylamino]pyridine-2-carboxylic acid
PubChem CID107414579
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name3-[(3-methylcyclopentyl)methylcarbamoylamino]pyridine-2-carboxylic acid
SMILESCC1CCC(CNC(=O)Nc2cccnc2C(=O)O)C1
InChIInChI=1S/C14H19N3O3/c1-9-4-5-10(7-9)8-16-14(20)17-11-3-2-6-15-12(11)13(18)19/h2-3,6,9-10H,4-5,7-8H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyBXJDHWBELDEBAT-UHFFFAOYSA-N
XLogP2.34
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(oxolan-3-ylmethylcarbamoylamino)pyridine-2-carboxylic acid
CID 104743585
3-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]pyridine-2-carboxylic acid
CID 106020866
3-[(5-oxopyrrolidin-2-yl)methylcarbamoylamino]pyridine-2-carboxylic acid
CID 104743679
5-fluoro-2-[(3-methylcyclopentyl)methylcarbamoylamino]benzoic acid
CID 107414704
3-(2-methylsulfanylethylcarbamoylamino)pyridine-2-carboxylic acid
CID 104743655
3-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]pyridine-2-carboxylic acid
CID 104743378
1-[[(2R,4S)-2-methyloxan-4-yl]methyl]-3-quinolin-8-ylurea
CID 97255277
2-bromo-5-[(3-methylcyclopentyl)methylcarbamoylamino]benzoic acid
CID 107414553
3-[(2-methylcyclopentanecarbonyl)amino]pyridine-2-carboxylic acid
CID 107175917
5-[[(3-methylcyclopentyl)methylcarbamoylamino]methyl]pyridine-2-carboxylic acid
CID 107414510
1-(2-chloro-3-pyridinyl)-3-(cyclohexylmethyl)urea
CID 108902883
3-(2-pyridin-2-ylethylcarbamoylamino)pyridine-2-carboxylic acid
CID 104743183

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylcyclopentyl)methylcarbamoylamino]pyridine-2-carboxylic acid?
The IUPAC name of 3-[(3-methylcyclopentyl)methylcarbamoylamino]pyridine-2-carboxylic acid (CID 107414579) is 3-[(3-methylcyclopentyl)methylcarbamoylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[(3-methylcyclopentyl)methylcarbamoylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[(3-methylcyclopentyl)methylcarbamoylamino]pyridine-2-carboxylic acid is CC1CCC(CNC(=O)Nc2cccnc2C(=O)O)C1.
What is the InChIKey of 3-[(3-methylcyclopentyl)methylcarbamoylamino]pyridine-2-carboxylic acid?
The InChIKey is BXJDHWBELDEBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-9-4-5-10(7-9)8-16-14(20)17-11-3-2-6-15-12(11)13(18)19/h2-3,6,9-10H,4-5,7-8H2,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 3-[(3-methylcyclopentyl)methylcarbamoylamino]pyridine-2-carboxylic acid?
3-[(3-methylcyclopentyl)methylcarbamoylamino]pyridine-2-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 2.34, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylcyclopentyl)methylcarbamoylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 107414579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).