2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridine-4-carboxylic acid

C16H22N2O6 — CID 22036054

IUPAC2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridine-4-carboxylic acid
SMILESCC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cc(C(=O)O)ccn1
InChIInChI=1S/C16H22N2O6/c1-15(2,3)23-13(21)18(14(22)24-16(4,5)6)11-9-10(12(19)20)7-8-17-11/h7-9H,1-6H3,(H,19,20)
InChIKeyICMJGDZGUQSBEN-UHFFFAOYSA-N
MW338.36 g/mol
LogP3.46
Rot. Bonds2

About 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridine-4-carboxylic acid

2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridine-4-carboxylic acid (PubChem CID 22036054) has the molecular formula C16H22N2O6 and a molecular weight of 338.36 g/mol. Its IUPAC name is 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridine-4-carboxylic acid
PubChem CID22036054
Molecular FormulaC16H22N2O6
Molecular Weight338.36 g/mol
Exact Mass338.15
IUPAC Name2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridine-4-carboxylic acid
SMILESCC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cc(C(=O)O)ccn1
InChIInChI=1S/C16H22N2O6/c1-15(2,3)23-13(21)18(14(22)24-16(4,5)6)11-9-10(12(19)20)7-8-17-11/h7-9H,1-6H3,(H,19,20)
InChIKeyICMJGDZGUQSBEN-UHFFFAOYSA-N
XLogP3.46
TPSA106.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-(4-acetyl-2-pyridinyl)-N-methylcarbamate
CID 70946479
tert-butyl N-(2-bromopyrimidin-4-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 142721523
2-(N-methylanilino)pyridine-4-carboxylic acid
CID 22643369
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]carbamate
CID 148899735
2-[ethyl(methyl)amino]pyridine-4-carboxylic acid
CID 43263657
2-[methyl(2-methylbutan-2-yl)amino]pyridine-4-carboxylic acid
CID 63957871
2-[(2-methylpropan-2-yl)oxy]pyridine-4-carboxylic acid
CID 28996595
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(2-prop-1-en-2-ylpyrimidin-4-yl)carbamate
CID 166129397
tert-butyl 3-[[2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]sulfanyl]pyrrolidine-1-carboxylate
CID 142471486
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(4-morpholin-4-yl-2-pyridinyl)carbamate;4-morpholin-4-ylpyridin-2-amine
CID 159600082
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(1,2-oxazol-3-yl)carbamate
CID 143306534
2-[butyl(cyclopropyl)amino]pyridine-4-carboxylic acid
CID 61442819

Frequently Asked Questions

What is the IUPAC name of 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridine-4-carboxylic acid?
The IUPAC name of 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridine-4-carboxylic acid (CID 22036054) is 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridine-4-carboxylic acid is CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cc(C(=O)O)ccn1.
What is the InChIKey of 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridine-4-carboxylic acid?
The InChIKey is ICMJGDZGUQSBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O6/c1-15(2,3)23-13(21)18(14(22)24-16(4,5)6)11-9-10(12(19)20)7-8-17-11/h7-9H,1-6H3,(H,19,20).
What are the key properties of 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridine-4-carboxylic acid?
2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridine-4-carboxylic acid has a molecular weight of 338.36 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 22036054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).