5-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]pyridine-3-carboxylic acid

C14H21N3O3 — CID 63157492

IUPAC5-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]pyridine-3-carboxylic acid
SMILESCC(C)CC(C)N(C)C(=O)Nc1cncc(C(=O)O)c1
InChIInChI=1S/C14H21N3O3/c1-9(2)5-10(3)17(4)14(20)16-12-6-11(13(18)19)7-15-8-12/h6-10H,5H2,1-4H3,(H,16,20)(H,18,19)
InChIKeyJCPREEJQHQLUJX-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.68
Rot. Bonds5

About 5-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]pyridine-3-carboxylic acid

5-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]pyridine-3-carboxylic acid (PubChem CID 63157492) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 5-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]pyridine-3-carboxylic acid
PubChem CID63157492
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name5-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]pyridine-3-carboxylic acid
SMILESCC(C)CC(C)N(C)C(=O)Nc1cncc(C(=O)O)c1
InChIInChI=1S/C14H21N3O3/c1-9(2)5-10(3)17(4)14(20)16-12-6-11(13(18)19)7-15-8-12/h6-10H,5H2,1-4H3,(H,16,20)(H,18,19)
InChIKeyJCPREEJQHQLUJX-UHFFFAOYSA-N
XLogP2.68
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[methyl(3-methylbutyl)carbamoyl]amino]pyridine-3-carboxylic acid
CID 63158131
5-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]pyridine-3-carboxylic acid
CID 63158042
5-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]pyridine-3-carboxylic acid
CID 106917226
5-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]pyridine-3-carboxylic acid
CID 63157858
5-[[2-cyanopropyl(ethyl)carbamoyl]amino]pyridine-3-carboxylic acid
CID 63157995
5-[[3-(ethylamino)-2-methylpropanoyl]amino]pyridine-3-carboxylic acid
CID 63154540
5-(2-methylpentanoylamino)pyridine-3-carboxylic acid
CID 63153597
5-[[5-hydroxypentyl(methyl)carbamoyl]amino]pyridine-3-carboxylic acid
CID 107201511
5-[[(2S)-2-aminobutanoyl]amino]pyridine-3-carboxylic acid
CID 79022911
5-[[cyclobutylmethyl(methyl)carbamoyl]amino]pyridine-3-carboxylic acid
CID 55166012
5-(propan-2-ylamino)pyridine-3-carboxylic acid
CID 79694248
5-(6-methylheptan-2-ylcarbamoylamino)pyridine-3-carboxylic acid
CID 63158039

Frequently Asked Questions

What is the IUPAC name of 5-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]pyridine-3-carboxylic acid (CID 63157492) is 5-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]pyridine-3-carboxylic acid is CC(C)CC(C)N(C)C(=O)Nc1cncc(C(=O)O)c1.
What is the InChIKey of 5-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]pyridine-3-carboxylic acid?
The InChIKey is JCPREEJQHQLUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-9(2)5-10(3)17(4)14(20)16-12-6-11(13(18)19)7-15-8-12/h6-10H,5H2,1-4H3,(H,16,20)(H,18,19).
What are the key properties of 5-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]pyridine-3-carboxylic acid?
5-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]pyridine-3-carboxylic acid has a molecular weight of 279.34 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 63157492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).