[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]carbamic acid

C10H11N3O4 — CID 118038729

IUPAC[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]carbamic acid
SMILESCOCCOc1cc(NC(=O)O)ncc1C#N
InChIInChI=1S/C10H11N3O4/c1-16-2-3-17-8-4-9(13-10(14)15)12-6-7(8)5-11/h4,6H,2-3H2,1H3,(H,12,13)(H,14,15)
InChIKeyMGEBBVDAVOXYCX-UHFFFAOYSA-N
MW237.22 g/mol
LogP1.07
Rot. Bonds5

About [5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]carbamic acid

[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]carbamic acid (PubChem CID 118038729) has the molecular formula C10H11N3O4 and a molecular weight of 237.22 g/mol. Its IUPAC name is [5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]carbamic acid.

Molecular Properties

Compound Name[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]carbamic acid
PubChem CID118038729
Molecular FormulaC10H11N3O4
Molecular Weight237.22 g/mol
Exact Mass237.07
IUPAC Name[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]carbamic acid
SMILESCOCCOc1cc(NC(=O)O)ncc1C#N
InChIInChI=1S/C10H11N3O4/c1-16-2-3-17-8-4-9(13-10(14)15)12-6-7(8)5-11/h4,6H,2-3H2,1H3,(H,12,13)(H,14,15)
InChIKeyMGEBBVDAVOXYCX-UHFFFAOYSA-N
XLogP1.07
TPSA104.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 3-cyano-4-(2-methoxyethoxy)benzoate
CID 163228135
N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-formyl-6-[[formyl(methyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 134256035
5-fluoro-2-(2-methoxyethoxy)-4-methylbenzonitrile
CID 67585577
N-[5-cyano-4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-4-[2-cyano-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
CID 169094893
N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-6-[[(4R)-4-(dimethylamino)-2-oxopyrrolidin-1-yl]methyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 162667418
N-[5-cyano-4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-4-[2-fluoro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
CID 169094903
3-cyano-4-methoxy-N-(5-methyl-2-pyridinyl)benzamide
CID 143484074
N-[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]-7-formyl-6-[[methyl(oxolane-2-carbonyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 134256052
N-[5-cyano-4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-[2-fluoro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyridine-3-carboxamide
CID 163238560
1-[4-[6-cyano-7-(2-methoxyethoxy)quinolin-4-yl]oxyphenyl]-3-phenylurea
CID 22936365
3-cyano-N-[6-(2-methoxyethoxy)-3-pyridinyl]benzamide
CID 43069880
4-(3-hydroxy-4-methylanilino)-7-(2-methoxyethoxy)quinoline-6-carbonitrile
CID 22646538

Frequently Asked Questions

What is the IUPAC name of [5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]carbamic acid?
The IUPAC name of [5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]carbamic acid (CID 118038729) is [5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]carbamic acid.
What is the SMILES notation for [5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]carbamic acid?
The canonical SMILES for [5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]carbamic acid is COCCOc1cc(NC(=O)O)ncc1C#N.
What is the InChIKey of [5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]carbamic acid?
The InChIKey is MGEBBVDAVOXYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4/c1-16-2-3-17-8-4-9(13-10(14)15)12-6-7(8)5-11/h4,6H,2-3H2,1H3,(H,12,13)(H,14,15).
What are the key properties of [5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]carbamic acid?
[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]carbamic acid has a molecular weight of 237.22 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]carbamic acid is sourced from PubChem (CID 118038729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).