N-[2-[[2-(2,3-dimethylphenoxy)-3-pyridinyl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide

C21H21N3O4 — CID 51121600

IUPACN-[2-[[2-(2,3-dimethylphenoxy)-3-pyridinyl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide
SMILESCc1cccc(Oc2ncccc2NC(=O)CN(C)C(=O)c2ccco2)c1C
InChIInChI=1S/C21H21N3O4/c1-14-7-4-9-17(15(14)2)28-20-16(8-5-11-22-20)23-19(25)13-24(3)21(26)18-10-6-12-27-18/h4-12H,13H2,1-3H3,(H,23,25)
InChIKeyRCMQHZNSNVDBMD-UHFFFAOYSA-N
MW379.42 g/mol
LogP3.79
Rot. Bonds6

About N-[2-[[2-(2,3-dimethylphenoxy)-3-pyridinyl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide

N-[2-[[2-(2,3-dimethylphenoxy)-3-pyridinyl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide (PubChem CID 51121600) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is N-[2-[[2-(2,3-dimethylphenoxy)-3-pyridinyl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(2,3-dimethylphenoxy)-3-pyridinyl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide
PubChem CID51121600
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC NameN-[2-[[2-(2,3-dimethylphenoxy)-3-pyridinyl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide
SMILESCc1cccc(Oc2ncccc2NC(=O)CN(C)C(=O)c2ccco2)c1C
InChIInChI=1S/C21H21N3O4/c1-14-7-4-9-17(15(14)2)28-20-16(8-5-11-22-20)23-19(25)13-24(3)21(26)18-10-6-12-27-18/h4-12H,13H2,1-3H3,(H,23,25)
InChIKeyRCMQHZNSNVDBMD-UHFFFAOYSA-N
XLogP3.79
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]furan-2-carboxamide
CID 26897595
2-(cyclopropylmethylamino)-N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]acetamide;dihydrochloride
CID 119849007
N-[2-(2-fluoroanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 35555182
N-[3-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]furan-2-carboxamide
CID 55820877
N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 35563379
N-[2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 30396658
N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-2-(4-nitrophenoxy)acetamide
CID 52702824
N-[2-[2-(dimethylsulfamoyl)anilino]-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 55984585
N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 94629453
2-amino-N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]pentanamide;dihydrochloride
CID 119848997
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylpyridine-3-carboxamide
CID 51146033
4-[[2-(2,3-dimethylphenoxy)-3-pyridinyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120674408

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(2,3-dimethylphenoxy)-3-pyridinyl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide?
The IUPAC name of N-[2-[[2-(2,3-dimethylphenoxy)-3-pyridinyl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide (CID 51121600) is N-[2-[[2-(2,3-dimethylphenoxy)-3-pyridinyl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide.
What is the SMILES notation for N-[2-[[2-(2,3-dimethylphenoxy)-3-pyridinyl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide?
The canonical SMILES for N-[2-[[2-(2,3-dimethylphenoxy)-3-pyridinyl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide is Cc1cccc(Oc2ncccc2NC(=O)CN(C)C(=O)c2ccco2)c1C.
What is the InChIKey of N-[2-[[2-(2,3-dimethylphenoxy)-3-pyridinyl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide?
The InChIKey is RCMQHZNSNVDBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-14-7-4-9-17(15(14)2)28-20-16(8-5-11-22-20)23-19(25)13-24(3)21(26)18-10-6-12-27-18/h4-12H,13H2,1-3H3,(H,23,25).
What are the key properties of N-[2-[[2-(2,3-dimethylphenoxy)-3-pyridinyl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide?
N-[2-[[2-(2,3-dimethylphenoxy)-3-pyridinyl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(2,3-dimethylphenoxy)-3-pyridinyl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide is sourced from PubChem (CID 51121600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).