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

C16H17N3O4 — CID 138110037

IUPACethyl N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(Oc2ccnc(C(=O)NC)c2)cc1
InChIInChI=1S/C16H17N3O4/c1-3-22-16(21)19-11-4-6-12(7-5-11)23-13-8-9-18-14(10-13)15(20)17-2/h4-10H,3H2,1-2H3,(H,17,20)(H,19,21)
InChIKeyLVPAGQJMUWPNHG-UHFFFAOYSA-N
MW315.33 g/mol
LogP2.80
Rot. Bonds5

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

ethyl N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate (PubChem CID 138110037) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is ethyl N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate
PubChem CID138110037
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC Nameethyl N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(Oc2ccnc(C(=O)NC)c2)cc1
InChIInChI=1S/C16H17N3O4/c1-3-22-16(21)19-11-4-6-12(7-5-11)23-13-8-9-18-14(10-13)15(20)17-2/h4-10H,3H2,1-2H3,(H,17,20)(H,19,21)
InChIKeyLVPAGQJMUWPNHG-UHFFFAOYSA-N
XLogP2.80
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate
CID 86648443
N-methyl-4-[4-[(4-methylphenyl)carbamothioylamino]phenoxy]pyridine-2-carboxamide
CID 141473965
ethyl 3-[[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamothioylamino]benzoate
CID 46843010
4-[4-[(4-fluorophenyl)carbamothioylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 46842980
N-methyl-4-[4-[(2-methylphenyl)carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 56931255
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
4-[4-(2H-benzotriazol-5-ylcarbamoylamino)phenoxy]-N-methylpyridine-2-carboxamide
CID 10318982
4-(4-amino-3-methylphenoxy)-N-methylpyridine-2-carboxamide;hydrochloride
CID 66746840
4-[4-(1-aminoethenyl)phenoxy]-N-methylpyridine-2-carboxamide
CID 142886612
2-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]acetic acid
CID 61395400
4-[4-[(3-fluorophenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 131953290

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate?
The IUPAC name of ethyl N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate (CID 138110037) is ethyl N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate.
What is the SMILES notation for ethyl N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate?
The canonical SMILES for ethyl N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate is CCOC(=O)Nc1ccc(Oc2ccnc(C(=O)NC)c2)cc1.
What is the InChIKey of ethyl N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate?
The InChIKey is LVPAGQJMUWPNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4/c1-3-22-16(21)19-11-4-6-12(7-5-11)23-13-8-9-18-14(10-13)15(20)17-2/h4-10H,3H2,1-2H3,(H,17,20)(H,19,21).
What are the key properties of ethyl N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate?
ethyl N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate has a molecular weight of 315.33 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate is sourced from PubChem (CID 138110037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).