3-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]pyridine-2-carboxylic acid

C14H19N3O3 — CID 104743458

IUPAC3-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]pyridine-2-carboxylic acid
SMILESCC(C)CN(C(=O)Nc1cccnc1C(=O)O)C1CC1
InChIInChI=1S/C14H19N3O3/c1-9(2)8-17(10-5-6-10)14(20)16-11-4-3-7-15-12(11)13(18)19/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyBMWYABMVHMGIGW-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.43
Rot. Bonds5

About 3-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]pyridine-2-carboxylic acid

3-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]pyridine-2-carboxylic acid (PubChem CID 104743458) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 3-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]pyridine-2-carboxylic acid
PubChem CID104743458
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name3-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]pyridine-2-carboxylic acid
SMILESCC(C)CN(C(=O)Nc1cccnc1C(=O)O)C1CC1
InChIInChI=1S/C14H19N3O3/c1-9(2)8-17(10-5-6-10)14(20)16-11-4-3-7-15-12(11)13(18)19/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyBMWYABMVHMGIGW-UHFFFAOYSA-N
XLogP2.43
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[cyclohexyl(ethyl)carbamoyl]amino]pyridine-2-carboxylic acid
CID 104743197
3-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]-2-methylbenzoic acid
CID 62949238
3-(dimethylcarbamoylamino)pyridine-2-carboxylic acid
CID 104740545
3-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]pyridine-2-carboxylic acid
CID 104743192
3-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]pyridine-2-carboxylic acid
CID 113447906
3-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]pyridine-2-carboxylic acid
CID 106917296
3-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]pyridine-2-carboxylic acid
CID 104743378
3-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]pyridine-2-carboxylic acid
CID 113447883
3-(2,3-dimethylbutanoylamino)pyridine-2-carboxylic acid
CID 104740180
3-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]pyridine-2-carboxylic acid
CID 104743271
3-[(2-methylcyclopentanecarbonyl)amino]pyridine-2-carboxylic acid
CID 107175917
3-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]pyridine-2-carboxylic acid
CID 104743126

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 3-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]pyridine-2-carboxylic acid (CID 104743458) is 3-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]pyridine-2-carboxylic acid is CC(C)CN(C(=O)Nc1cccnc1C(=O)O)C1CC1.
What is the InChIKey of 3-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]pyridine-2-carboxylic acid?
The InChIKey is BMWYABMVHMGIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-9(2)8-17(10-5-6-10)14(20)16-11-4-3-7-15-12(11)13(18)19/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 3-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]pyridine-2-carboxylic acid?
3-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]pyridine-2-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 104743458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).