sodium 4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridine-2-carboxylate

C16H21N2NaO6 — CID 23717609

IUPACsodium 4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridine-2-carboxylate
SMILESCC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ccnc(C(=O)[O-])c1.[Na+]
InChIInChI=1S/C16H22N2O6.Na/c1-15(2,3)23-13(21)18(14(22)24-16(4,5)6)10-7-8-17-11(9-10)12(19)20;/h7-9H,1-6H3,(H,19,20);/q;+1/p-1
InChIKeyLPKUOBZORLSBOE-UHFFFAOYSA-M
MW360.34 g/mol
LogP-0.87
Rot. Bonds2

About sodium 4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridine-2-carboxylate

sodium 4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridine-2-carboxylate (PubChem CID 23717609) has the molecular formula C16H21N2NaO6 and a molecular weight of 360.34 g/mol. Its IUPAC name is sodium 4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridine-2-carboxylate.

Molecular Properties

Compound Namesodium 4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridine-2-carboxylate
PubChem CID23717609
Molecular FormulaC16H21N2NaO6
Molecular Weight360.34 g/mol
Exact Mass360.13
IUPAC Namesodium 4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridine-2-carboxylate
SMILESCC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ccnc(C(=O)[O-])c1.[Na+]
InChIInChI=1S/C16H22N2O6.Na/c1-15(2,3)23-13(21)18(14(22)24-16(4,5)6)10-7-8-17-11(9-10)12(19)20;/h7-9H,1-6H3,(H,19,20);/q;+1/p-1
InChIKeyLPKUOBZORLSBOE-UHFFFAOYSA-M
XLogP-0.87
TPSA108.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.34
LogP ≤ 5-0.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridine-2-carboxylate
CID 156664169
tert-butyl N-acetyl-N-pyridin-4-ylcarbamate
CID 69108647
2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridine-4-carboxylic acid
CID 22036054
tert-butyl N-[4-(dimethylamino)phenyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 134129739
tert-butyl N-(2-bromopyrimidin-4-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 142721523
tert-butyl N-(4-chloropyrimidin-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 75529918
tert-butyl N-(4-iodopyrimidin-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 73425289
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(2-oxo-1H-pyridin-4-yl)carbamate
CID 90144131
tert-butyl N-[4-(2-bromoacetyl)pyrimidin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 163250241
tert-butyl N-[4-(aminomethyl)pyrimidin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 171568778
tert-butyl N-(7-methylisoquinolin-1-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 58972974
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(3-prop-1-ynylphenyl)carbamate
CID 155305013

Frequently Asked Questions

What is the IUPAC name of sodium 4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridine-2-carboxylate?
The IUPAC name of sodium 4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridine-2-carboxylate (CID 23717609) is sodium 4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridine-2-carboxylate.
What is the SMILES notation for sodium 4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridine-2-carboxylate?
The canonical SMILES for sodium 4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridine-2-carboxylate is CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ccnc(C(=O)[O-])c1.[Na+].
What is the InChIKey of sodium 4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridine-2-carboxylate?
The InChIKey is LPKUOBZORLSBOE-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H22N2O6.Na/c1-15(2,3)23-13(21)18(14(22)24-16(4,5)6)10-7-8-17-11(9-10)12(19)20;/h7-9H,1-6H3,(H,19,20);/q;+1/p-1.
What are the key properties of sodium 4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridine-2-carboxylate?
sodium 4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridine-2-carboxylate has a molecular weight of 360.34 g/mol, XLogP of -0.87, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridine-2-carboxylate is sourced from PubChem (CID 23717609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).