(3-methoxy-4-pyridinyl) carbamate

C7H8N2O3 — CID 90285344

IUPAC(3-methoxy-4-pyridinyl) carbamate
SMILESCOc1cnccc1OC(N)=O
InChIInChI=1S/C7H8N2O3/c1-11-6-4-9-3-2-5(6)12-7(8)10/h2-4H,1H3,(H2,8,10)
InChIKeyPPKMTZORRSSHPJ-UHFFFAOYSA-N
MW168.15 g/mol
LogP0.55
Rot. Bonds2

About (3-methoxy-4-pyridinyl) carbamate

(3-methoxy-4-pyridinyl) carbamate (PubChem CID 90285344) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is (3-methoxy-4-pyridinyl) carbamate.

Molecular Properties

Compound Name(3-methoxy-4-pyridinyl) carbamate
PubChem CID90285344
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name(3-methoxy-4-pyridinyl) carbamate
SMILESCOc1cnccc1OC(N)=O
InChIInChI=1S/C7H8N2O3/c1-11-6-4-9-3-2-5(6)12-7(8)10/h2-4H,1H3,(H2,8,10)
InChIKeyPPKMTZORRSSHPJ-UHFFFAOYSA-N
XLogP0.55
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

formic acid;4-methoxypyridine-3-carboxamide
CID 67982292
6-methoxyisoquinoline-5-carboxamide
CID 82573912
4-methoxypyridine-3-carboxylate
CID 26119064
3-methoxy-4-propan-2-yloxypyridine
CID 167334924
(4-chloro-2-methoxyphenyl) carbamate
CID 130017787
4-methoxypyridin-3-amine;dihydrochloride
CID 163333119
3,5-dimethoxypyridine-4-carboxamide
CID 69277472
(2S)-2-amino-1-(4-methoxy-3-pyridinyl)propan-1-one;hydrochloride
CID 178103167
(2-hydroxy-3-methoxyphenyl) carbamate
CID 68617707
2-(4-methoxy-3-pyridinyl)-2-methylpropanoic acid
CID 115009175
4-(trideuteriomethoxy)pyridine-3-carboxamide
CID 90115030
4-methoxypyridine-3-thiolate
CID 156636966

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-4-pyridinyl) carbamate?
The IUPAC name of (3-methoxy-4-pyridinyl) carbamate (CID 90285344) is (3-methoxy-4-pyridinyl) carbamate.
What is the SMILES notation for (3-methoxy-4-pyridinyl) carbamate?
The canonical SMILES for (3-methoxy-4-pyridinyl) carbamate is COc1cnccc1OC(N)=O.
What is the InChIKey of (3-methoxy-4-pyridinyl) carbamate?
The InChIKey is PPKMTZORRSSHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c1-11-6-4-9-3-2-5(6)12-7(8)10/h2-4H,1H3,(H2,8,10).
What are the key properties of (3-methoxy-4-pyridinyl) carbamate?
(3-methoxy-4-pyridinyl) carbamate has a molecular weight of 168.15 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-4-pyridinyl) carbamate is sourced from PubChem (CID 90285344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).