5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]pyridine-2-carboxylic acid

C17H18N2O4 — CID 53224655

IUPAC5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]pyridine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)Nc1ccc(-c2ccc(C(=O)O)nc2)cc1
InChIInChI=1S/C17H18N2O4/c1-17(2,3)23-16(22)19-13-7-4-11(5-8-13)12-6-9-14(15(20)21)18-10-12/h4-10H,1-3H3,(H,19,22)(H,20,21)
InChIKeyGIWCCTHXSCSCAZ-UHFFFAOYSA-N
MW314.34 g/mol
LogP3.79
Rot. Bonds3

About 5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]pyridine-2-carboxylic acid

5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]pyridine-2-carboxylic acid (PubChem CID 53224655) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is 5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]pyridine-2-carboxylic acid
PubChem CID53224655
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]pyridine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)Nc1ccc(-c2ccc(C(=O)O)nc2)cc1
InChIInChI=1S/C17H18N2O4/c1-17(2,3)23-16(22)19-13-7-4-11(5-8-13)12-6-9-14(15(20)21)18-10-12/h4-10H,1-3H3,(H,19,22)(H,20,21)
InChIKeyGIWCCTHXSCSCAZ-UHFFFAOYSA-N
XLogP3.79
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]pyridine-3-carboxylic acid
CID 53224663
tert-butyl N-[4-(4-hydroxyphenyl)phenyl]carbamate
CID 53218743
5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]pyridine-2-carboxylic acid
CID 114518085
tert-butyl N-[4-(6-oxo-1H-pyridin-3-yl)phenyl]carbamate
CID 53218281
5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]pyridine-2-carboxylic acid
CID 171652736
tert-butyl N-[4-(2-amino-4-pyridinyl)phenyl]carbamate
CID 140874182
(Z)-3-amino-2-[amino(methyl)amino]-3-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]prop-2-enoic acid
CID 162377884
8-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]quinoline-2-carboxylic acid
CID 129451004
tert-butyl N-[4-(6-oxo-1H-pyrimidin-5-yl)phenyl]carbamate
CID 122200488
tert-butyl N-[4-(bromomethoxy)phenyl]carbamate
CID 142798016
tert-butyl N-(4-sulfanylphenyl)carbamate
CID 59412418
4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]benzoic acid
CID 53218486

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]pyridine-2-carboxylic acid (CID 53224655) is 5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]pyridine-2-carboxylic acid is CC(C)(C)OC(=O)Nc1ccc(-c2ccc(C(=O)O)nc2)cc1.
What is the InChIKey of 5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]pyridine-2-carboxylic acid?
The InChIKey is GIWCCTHXSCSCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-17(2,3)23-16(22)19-13-7-4-11(5-8-13)12-6-9-14(15(20)21)18-10-12/h4-10H,1-3H3,(H,19,22)(H,20,21).
What are the key properties of 5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]pyridine-2-carboxylic acid?
5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]pyridine-2-carboxylic acid has a molecular weight of 314.34 g/mol, XLogP of 3.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 53224655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).