ethyl N-[(2R,4R)-2-ethyloxan-4-yl]-N-[5-ethynyl-2-(methoxymethylcarbamoyl)furo[3,2-b]pyridin-3-yl]carbamate

C22H27N3O6 — CID 125499088

IUPACethyl N-[(2R,4R)-2-ethyloxan-4-yl]-N-[5-ethynyl-2-(methoxymethylcarbamoyl)furo[3,2-b]pyridin-3-yl]carbamate
SMILESC#Cc1ccc2oc(C(=O)NCOC)c(N(C(=O)OCC)[C@@H]3CCO[C@H](CC)C3)c2n1
InChIInChI=1S/C22H27N3O6/c1-5-14-8-9-17-18(24-14)19(20(31-17)21(26)23-13-28-4)25(22(27)29-7-3)15-10-11-30-16(6-2)12-15/h1,8-9,15-16H,6-7,10-13H2,2-4H3,(H,23,26)/t15-,16-/m1/s1
InChIKeyJUOHXUNTXMBHGG-HZPDHXFCSA-N
MW429.47 g/mol
LogP3.06
Rot. Bonds7

About ethyl N-[(2R,4R)-2-ethyloxan-4-yl]-N-[5-ethynyl-2-(methoxymethylcarbamoyl)furo[3,2-b]pyridin-3-yl]carbamate

ethyl N-[(2R,4R)-2-ethyloxan-4-yl]-N-[5-ethynyl-2-(methoxymethylcarbamoyl)furo[3,2-b]pyridin-3-yl]carbamate (PubChem CID 125499088) has the molecular formula C22H27N3O6 and a molecular weight of 429.47 g/mol. Its IUPAC name is ethyl N-[(2R,4R)-2-ethyloxan-4-yl]-N-[5-ethynyl-2-(methoxymethylcarbamoyl)furo[3,2-b]pyridin-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[(2R,4R)-2-ethyloxan-4-yl]-N-[5-ethynyl-2-(methoxymethylcarbamoyl)furo[3,2-b]pyridin-3-yl]carbamate
PubChem CID125499088
Molecular FormulaC22H27N3O6
Molecular Weight429.47 g/mol
Exact Mass429.19
IUPAC Nameethyl N-[(2R,4R)-2-ethyloxan-4-yl]-N-[5-ethynyl-2-(methoxymethylcarbamoyl)furo[3,2-b]pyridin-3-yl]carbamate
SMILESC#Cc1ccc2oc(C(=O)NCOC)c(N(C(=O)OCC)[C@@H]3CCO[C@H](CC)C3)c2n1
InChIInChI=1S/C22H27N3O6/c1-5-14-8-9-17-18(24-14)19(20(31-17)21(26)23-13-28-4)25(22(27)29-7-3)15-10-11-30-16(6-2)12-15/h1,8-9,15-16H,6-7,10-13H2,2-4H3,(H,23,26)/t15-,16-/m1/s1
InChIKeyJUOHXUNTXMBHGG-HZPDHXFCSA-N
XLogP3.06
TPSA103.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.47
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl N-(2-ethyloxan-4-yl)-N-[2-[methoxy(methyl)carbamoyl]-6-methyl-5-(1-methylpyrazol-4-yl)furo[3,2-b]pyridin-3-yl]carbamate
CID 123333267
ethyl 5-bromo-3-[ethoxycarbonyl-[(2S)-2-ethyloxan-4-yl]amino]furo[2,3-c]pyridine-2-carboxylate
CID 126729706
ethyl N-[(2S,4S)-2-ethyloxan-4-yl]-N-methylcarbamate
CID 126729772
ethyl 3-[ethoxycarbonyl-[(2S,4S)-2-ethyloxan-4-yl]amino]-5-(2H-pyrrol-4-yl)furo[2,3-c]pyridine-2-carboxylate
CID 159267100
ethyl N-[(2S)-2-ethyloxan-4-yl]-N-[2-(1-methylpyrazole-4-carbonyl)-5-(1-methylpyrazol-4-yl)furo[2,3-c]pyridin-3-yl]carbamate
CID 126729708
1-[(2S,4S)-2-ethyloxan-4-yl]-1,3-dimethylurea
CID 126729792
3,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide
CID 42107595
2-[tert-butyl-(2-ethyloxan-4-yl)amino]acetic acid
CID 79268341
1-[4-[4-[4-[cyclobutyl(ethoxycarbonyl)amino]-5-methyl-1,2-oxazol-3-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 66964579
5-(diethylsulfamoyl)-3-methyl-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 5240838
ethyl N-(3-cyclopropyl-2,6-dimethylphenyl)-N-(2-methoxyacetyl)carbamate
CID 70525362
4-[[(2-ethyloxan-4-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79532324

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(2R,4R)-2-ethyloxan-4-yl]-N-[5-ethynyl-2-(methoxymethylcarbamoyl)furo[3,2-b]pyridin-3-yl]carbamate?
The IUPAC name of ethyl N-[(2R,4R)-2-ethyloxan-4-yl]-N-[5-ethynyl-2-(methoxymethylcarbamoyl)furo[3,2-b]pyridin-3-yl]carbamate (CID 125499088) is ethyl N-[(2R,4R)-2-ethyloxan-4-yl]-N-[5-ethynyl-2-(methoxymethylcarbamoyl)furo[3,2-b]pyridin-3-yl]carbamate.
What is the SMILES notation for ethyl N-[(2R,4R)-2-ethyloxan-4-yl]-N-[5-ethynyl-2-(methoxymethylcarbamoyl)furo[3,2-b]pyridin-3-yl]carbamate?
The canonical SMILES for ethyl N-[(2R,4R)-2-ethyloxan-4-yl]-N-[5-ethynyl-2-(methoxymethylcarbamoyl)furo[3,2-b]pyridin-3-yl]carbamate is C#Cc1ccc2oc(C(=O)NCOC)c(N(C(=O)OCC)[C@@H]3CCO[C@H](CC)C3)c2n1.
What is the InChIKey of ethyl N-[(2R,4R)-2-ethyloxan-4-yl]-N-[5-ethynyl-2-(methoxymethylcarbamoyl)furo[3,2-b]pyridin-3-yl]carbamate?
The InChIKey is JUOHXUNTXMBHGG-HZPDHXFCSA-N. The full InChI is InChI=1S/C22H27N3O6/c1-5-14-8-9-17-18(24-14)19(20(31-17)21(26)23-13-28-4)25(22(27)29-7-3)15-10-11-30-16(6-2)12-15/h1,8-9,15-16H,6-7,10-13H2,2-4H3,(H,23,26)/t15-,16-/m1/s1.
What are the key properties of ethyl N-[(2R,4R)-2-ethyloxan-4-yl]-N-[5-ethynyl-2-(methoxymethylcarbamoyl)furo[3,2-b]pyridin-3-yl]carbamate?
ethyl N-[(2R,4R)-2-ethyloxan-4-yl]-N-[5-ethynyl-2-(methoxymethylcarbamoyl)furo[3,2-b]pyridin-3-yl]carbamate has a molecular weight of 429.47 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(2R,4R)-2-ethyloxan-4-yl]-N-[5-ethynyl-2-(methoxymethylcarbamoyl)furo[3,2-b]pyridin-3-yl]carbamate is sourced from PubChem (CID 125499088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).