5-[[cyclobutylmethyl(methyl)carbamoyl]amino]pyridine-3-carboxylic acid

C13H17N3O3 — CID 55166012

IUPAC5-[[cyclobutylmethyl(methyl)carbamoyl]amino]pyridine-3-carboxylic acid
SMILESCN(CC1CCC1)C(=O)Nc1cncc(C(=O)O)c1
InChIInChI=1S/C13H17N3O3/c1-16(8-9-3-2-4-9)13(19)15-11-5-10(12(17)18)6-14-7-11/h5-7,9H,2-4,8H2,1H3,(H,15,19)(H,17,18)
InChIKeyUSICCRNWMMXXAG-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.04
Rot. Bonds4

About 5-[[cyclobutylmethyl(methyl)carbamoyl]amino]pyridine-3-carboxylic acid

5-[[cyclobutylmethyl(methyl)carbamoyl]amino]pyridine-3-carboxylic acid (PubChem CID 55166012) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 5-[[cyclobutylmethyl(methyl)carbamoyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[[cyclobutylmethyl(methyl)carbamoyl]amino]pyridine-3-carboxylic acid
PubChem CID55166012
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name5-[[cyclobutylmethyl(methyl)carbamoyl]amino]pyridine-3-carboxylic acid
SMILESCN(CC1CCC1)C(=O)Nc1cncc(C(=O)O)c1
InChIInChI=1S/C13H17N3O3/c1-16(8-9-3-2-4-9)13(19)15-11-5-10(12(17)18)6-14-7-11/h5-7,9H,2-4,8H2,1H3,(H,15,19)(H,17,18)
InChIKeyUSICCRNWMMXXAG-UHFFFAOYSA-N
XLogP2.04
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[methyl(oxolan-2-ylmethyl)carbamoyl]amino]pyridine-3-carboxylic acid
CID 63158181
4-[[cyclopentylmethyl(methyl)carbamoyl]amino]benzoic acid
CID 63656761
3,5-dichloro-4-[[cyclobutylmethyl(methyl)carbamoyl]amino]benzoic acid
CID 82811073
5-[[methyl(3-methylbutyl)carbamoyl]amino]pyridine-3-carboxylic acid
CID 63158131
5-[[methyl-(2-methylcyclohexyl)carbamoyl]amino]pyridine-3-carboxylic acid
CID 63157586
5-[[5-hydroxypentyl(methyl)carbamoyl]amino]pyridine-3-carboxylic acid
CID 107201511
5-[[methyl(pyridin-3-ylmethyl)carbamoyl]amino]pyridine-3-carboxylic acid
CID 63157620
5-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]pyridine-3-carboxylic acid
CID 106917226
4-[[cyclobutylmethyl(methyl)carbamoyl]amino]-2-hydroxybenzoic acid
CID 62854589
5-[(3-ethylpiperidine-1-carbonyl)amino]pyridine-3-carboxylic acid
CID 63157800
2-[4-[[cyclobutylmethyl(methyl)carbamoyl]amino]pyrazol-1-yl]acetic acid
CID 62856426
5-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]pyridine-3-carboxylic acid
CID 63157492

Frequently Asked Questions

What is the IUPAC name of 5-[[cyclobutylmethyl(methyl)carbamoyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-[[cyclobutylmethyl(methyl)carbamoyl]amino]pyridine-3-carboxylic acid (CID 55166012) is 5-[[cyclobutylmethyl(methyl)carbamoyl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[[cyclobutylmethyl(methyl)carbamoyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[[cyclobutylmethyl(methyl)carbamoyl]amino]pyridine-3-carboxylic acid is CN(CC1CCC1)C(=O)Nc1cncc(C(=O)O)c1.
What is the InChIKey of 5-[[cyclobutylmethyl(methyl)carbamoyl]amino]pyridine-3-carboxylic acid?
The InChIKey is USICCRNWMMXXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-16(8-9-3-2-4-9)13(19)15-11-5-10(12(17)18)6-14-7-11/h5-7,9H,2-4,8H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 5-[[cyclobutylmethyl(methyl)carbamoyl]amino]pyridine-3-carboxylic acid?
5-[[cyclobutylmethyl(methyl)carbamoyl]amino]pyridine-3-carboxylic acid has a molecular weight of 263.30 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[cyclobutylmethyl(methyl)carbamoyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 55166012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).