N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate

C14H12N3O4- — CID 86648443

IUPACN-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate
SMILESCNC(=O)c1cc(Oc2ccc(NC(=O)[O-])cc2)ccn1
InChIInChI=1S/C14H13N3O4/c1-15-13(18)12-8-11(6-7-16-12)21-10-4-2-9(3-5-10)17-14(19)20/h2-8,17H,1H3,(H,15,18)(H,19,20)/p-1
InChIKeyHDQPKVSMGIJSIE-UHFFFAOYSA-M
MW286.27 g/mol
LogP0.99
Rot. Bonds4

About N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate

N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate (PubChem CID 86648443) has the molecular formula C14H12N3O4- and a molecular weight of 286.27 g/mol. Its IUPAC name is N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate.

Molecular Properties

Compound NameN-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate
PubChem CID86648443
Molecular FormulaC14H12N3O4-
Molecular Weight286.27 g/mol
Exact Mass286.08
IUPAC NameN-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate
SMILESCNC(=O)c1cc(Oc2ccc(NC(=O)[O-])cc2)ccn1
InChIInChI=1S/C14H13N3O4/c1-15-13(18)12-8-11(6-7-16-12)21-10-4-2-9(3-5-10)17-14(19)20/h2-8,17H,1H3,(H,15,18)(H,19,20)/p-1
InChIKeyHDQPKVSMGIJSIE-UHFFFAOYSA-M
XLogP0.99
TPSA103.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.27
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-4-[4-[(4-methylphenyl)carbamothioylamino]phenoxy]pyridine-2-carboxamide
CID 141473965
ethyl N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate
CID 138110037
4-[4-[(4-fluorophenyl)carbamothioylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 46842980
N'-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-N-[4-(trifluoromethyl)phenyl]oxamide
CID 11236465
4-(4-chlorophenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]pyridine-2-carboxamide
CID 141417735
N-methyl-4-[4-[(2-methylphenyl)carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 56931255
4-[4-[(3-fluorophenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 131953290
4-[4-[(3-chlorophenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 118002051
4-[4-(2H-benzotriazol-5-ylcarbamoylamino)phenoxy]-N-methylpyridine-2-carboxamide
CID 10318982
4-[4-[(4-hydroxyphenyl)diazenyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 165438064
N-methyl-4-[4-[2-[(4-methylsulfanylphenyl)carbamoyl]hydrazinyl]phenoxy]pyridine-2-carboxamide
CID 11407586
N'-(2-methoxyphenyl)-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]oxamide
CID 11339157

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate?
The IUPAC name of N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate (CID 86648443) is N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate.
What is the SMILES notation for N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate?
The canonical SMILES for N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate is CNC(=O)c1cc(Oc2ccc(NC(=O)[O-])cc2)ccn1.
What is the InChIKey of N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate?
The InChIKey is HDQPKVSMGIJSIE-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H13N3O4/c1-15-13(18)12-8-11(6-7-16-12)21-10-4-2-9(3-5-10)17-14(19)20/h2-8,17H,1H3,(H,15,18)(H,19,20)/p-1.
What are the key properties of N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate?
N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate has a molecular weight of 286.27 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate is sourced from PubChem (CID 86648443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).