2-methoxycarbonyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenylpyridine-3-carboxylic acid

C19H20N2O6 — CID 174848099

IUPAC2-methoxycarbonyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenylpyridine-3-carboxylic acid
SMILESCOC(=O)c1nc(-c2ccccc2)c(NC(=O)OC(C)(C)C)cc1C(=O)O
InChIInChI=1S/C19H20N2O6/c1-19(2,3)27-18(25)20-13-10-12(16(22)23)15(17(24)26-4)21-14(13)11-8-6-5-7-9-11/h5-10H,1-4H3,(H,20,25)(H,22,23)
InChIKeyIBSMJKXBJYZKQN-UHFFFAOYSA-N
MW372.38 g/mol
LogP3.58
Rot. Bonds4

About 2-methoxycarbonyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenylpyridine-3-carboxylic acid

2-methoxycarbonyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenylpyridine-3-carboxylic acid (PubChem CID 174848099) has the molecular formula C19H20N2O6 and a molecular weight of 372.38 g/mol. Its IUPAC name is 2-methoxycarbonyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-methoxycarbonyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenylpyridine-3-carboxylic acid
PubChem CID174848099
Molecular FormulaC19H20N2O6
Molecular Weight372.38 g/mol
Exact Mass372.13
IUPAC Name2-methoxycarbonyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenylpyridine-3-carboxylic acid
SMILESCOC(=O)c1nc(-c2ccccc2)c(NC(=O)OC(C)(C)C)cc1C(=O)O
InChIInChI=1S/C19H20N2O6/c1-19(2,3)27-18(25)20-13-10-12(16(22)23)15(17(24)26-4)21-14(13)11-8-6-5-7-9-11/h5-10H,1-4H3,(H,20,25)(H,22,23)
InChIKeyIBSMJKXBJYZKQN-UHFFFAOYSA-N
XLogP3.58
TPSA114.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[5,6-bis(hydroxymethyl)-2-phenyl-3-pyridinyl]carbamate
CID 118411498
dimethyl 5-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-phenylpyridine-2,3-dicarboxylate
CID 118411497
2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylbenzoic acid
CID 118990603
2,4-dimethoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
CID 45356710
methyl 6-bromo-5-methoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate
CID 168977230
tert-butyl N-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-phenylphosphanyl]phenyl]carbamate
CID 11179384
3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylfuran-2-carboxylic acid
CID 16655147
1-[2,4-dimethyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]naphthalene-2-carboxylic acid
CID 154721514
tert-butyl N-(5-amino-2-phenylphenyl)carbamate
CID 68789510
3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(trifluoromethyl)pyridine-2-carboxylic acid
CID 131617499
2-(2,5-dioxopyrrol-1-yl)-4-methoxycarbonyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
CID 121364706
ethane;5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenyl-1,3-thiazole-4-carboxylic acid
CID 144595105

Frequently Asked Questions

What is the IUPAC name of 2-methoxycarbonyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenylpyridine-3-carboxylic acid?
The IUPAC name of 2-methoxycarbonyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenylpyridine-3-carboxylic acid (CID 174848099) is 2-methoxycarbonyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-methoxycarbonyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenylpyridine-3-carboxylic acid?
The canonical SMILES for 2-methoxycarbonyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenylpyridine-3-carboxylic acid is COC(=O)c1nc(-c2ccccc2)c(NC(=O)OC(C)(C)C)cc1C(=O)O.
What is the InChIKey of 2-methoxycarbonyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenylpyridine-3-carboxylic acid?
The InChIKey is IBSMJKXBJYZKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O6/c1-19(2,3)27-18(25)20-13-10-12(16(22)23)15(17(24)26-4)21-14(13)11-8-6-5-7-9-11/h5-10H,1-4H3,(H,20,25)(H,22,23).
What are the key properties of 2-methoxycarbonyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenylpyridine-3-carboxylic acid?
2-methoxycarbonyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenylpyridine-3-carboxylic acid has a molecular weight of 372.38 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxycarbonyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenylpyridine-3-carboxylic acid is sourced from PubChem (CID 174848099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).