methyl N-[4-[[4-chloro-5-(methylamino)-6-nitroso-3-pyridinyl]oxy]-2-pyridinyl]carbamate

C13H12ClN5O4 — CID 168880203

IUPACmethyl N-[4-[[4-chloro-5-(methylamino)-6-nitroso-3-pyridinyl]oxy]-2-pyridinyl]carbamate
SMILESCNc1c(N=O)ncc(Oc2ccnc(NC(=O)OC)c2)c1Cl
InChIInChI=1S/C13H12ClN5O4/c1-15-11-10(14)8(6-17-12(11)19-21)23-7-3-4-16-9(5-7)18-13(20)22-2/h3-6,15H,1-2H3,(H,16,18,20)
InChIKeyDYWNUEOTDXOMJC-UHFFFAOYSA-N
MW337.72 g/mol
LogP3.54
Rot. Bonds5

About methyl N-[4-[[4-chloro-5-(methylamino)-6-nitroso-3-pyridinyl]oxy]-2-pyridinyl]carbamate

methyl N-[4-[[4-chloro-5-(methylamino)-6-nitroso-3-pyridinyl]oxy]-2-pyridinyl]carbamate (PubChem CID 168880203) has the molecular formula C13H12ClN5O4 and a molecular weight of 337.72 g/mol. Its IUPAC name is methyl N-[4-[[4-chloro-5-(methylamino)-6-nitroso-3-pyridinyl]oxy]-2-pyridinyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[[4-chloro-5-(methylamino)-6-nitroso-3-pyridinyl]oxy]-2-pyridinyl]carbamate
PubChem CID168880203
Molecular FormulaC13H12ClN5O4
Molecular Weight337.72 g/mol
Exact Mass337.06
IUPAC Namemethyl N-[4-[[4-chloro-5-(methylamino)-6-nitroso-3-pyridinyl]oxy]-2-pyridinyl]carbamate
SMILESCNc1c(N=O)ncc(Oc2ccnc(NC(=O)OC)c2)c1Cl
InChIInChI=1S/C13H12ClN5O4/c1-15-11-10(14)8(6-17-12(11)19-21)23-7-3-4-16-9(5-7)18-13(20)22-2/h3-6,15H,1-2H3,(H,16,18,20)
InChIKeyDYWNUEOTDXOMJC-UHFFFAOYSA-N
XLogP3.54
TPSA114.80 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.72
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze methyl N-[4-[[4-chloro-5-(methylamino)-6-nitroso-3-pyridinyl]oxy]-2-pyridinyl]carbamate with MolForge

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Related Compounds

N-[4-[2-chloro-4-(methylamino)phenoxy]-2-pyridinyl]acetamide
CID 129225585
N-[4-[[6-amino-4-chloro-5-(methylamino)-3-pyridinyl]oxy]-2-pyridinyl]-2-(4-methylmorpholin-2-yl)acetamide
CID 168880255
N-[4-[(6-iodo-4-methyl-3-pyridinyl)oxy]-2-pyridinyl]acetamide
CID 90427638
tert-butyl N-[4-(2-chloro-4-nitrophenoxy)-2-pyridinyl]carbamate
CID 175583227
1-[4-(2-fluorophenoxy)-2-pyridinyl]-3-methylurea
CID 155512123
N-[4-[4-(methylamino)phenoxy]-2-pyridinyl]acetamide
CID 138528462
N-[4-[5-amino-2-methoxy-4-(methylamino)phenoxy]-2-pyridinyl]acetamide
CID 69004947
methyl N-(4-propan-2-yl-2-pyridinyl)carbamate
CID 168928521
methyl N-(5-chloro-4-methyl-2-pyridinyl)carbamate
CID 177139769
tert-butyl [2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl] carbonate
CID 118989818
tert-butyl N-[4-[(2-methyl-6-nitro-3-pyridinyl)oxy]-2-pyridinyl]carbamate
CID 131735225
methyl 2-[(2-chloro-4-pyridinyl)oxy]benzoate
CID 86634716

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[[4-chloro-5-(methylamino)-6-nitroso-3-pyridinyl]oxy]-2-pyridinyl]carbamate?
The IUPAC name of methyl N-[4-[[4-chloro-5-(methylamino)-6-nitroso-3-pyridinyl]oxy]-2-pyridinyl]carbamate (CID 168880203) is methyl N-[4-[[4-chloro-5-(methylamino)-6-nitroso-3-pyridinyl]oxy]-2-pyridinyl]carbamate.
What is the SMILES notation for methyl N-[4-[[4-chloro-5-(methylamino)-6-nitroso-3-pyridinyl]oxy]-2-pyridinyl]carbamate?
The canonical SMILES for methyl N-[4-[[4-chloro-5-(methylamino)-6-nitroso-3-pyridinyl]oxy]-2-pyridinyl]carbamate is CNc1c(N=O)ncc(Oc2ccnc(NC(=O)OC)c2)c1Cl.
What is the InChIKey of methyl N-[4-[[4-chloro-5-(methylamino)-6-nitroso-3-pyridinyl]oxy]-2-pyridinyl]carbamate?
The InChIKey is DYWNUEOTDXOMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN5O4/c1-15-11-10(14)8(6-17-12(11)19-21)23-7-3-4-16-9(5-7)18-13(20)22-2/h3-6,15H,1-2H3,(H,16,18,20).
What are the key properties of methyl N-[4-[[4-chloro-5-(methylamino)-6-nitroso-3-pyridinyl]oxy]-2-pyridinyl]carbamate?
methyl N-[4-[[4-chloro-5-(methylamino)-6-nitroso-3-pyridinyl]oxy]-2-pyridinyl]carbamate has a molecular weight of 337.72 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[[4-chloro-5-(methylamino)-6-nitroso-3-pyridinyl]oxy]-2-pyridinyl]carbamate is sourced from PubChem (CID 168880203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).