2-(2,2-difluoroethoxy)-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpyridine-3-carboxamide

C17H16F2N2O3 — CID 75434206

IUPAC2-(2,2-difluoroethoxy)-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpyridine-3-carboxamide
SMILESCN(C(=O)c1cccnc1OCC(F)F)c1ccc2c(c1)CCO2
InChIInChI=1S/C17H16F2N2O3/c1-21(12-4-5-14-11(9-12)6-8-23-14)17(22)13-3-2-7-20-16(13)24-10-15(18)19/h2-5,7,9,15H,6,8,10H2,1H3
InChIKeyMCANKUAJGPRLLX-UHFFFAOYSA-N
MW334.32 g/mol
LogP2.94
Rot. Bonds5

About 2-(2,2-difluoroethoxy)-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpyridine-3-carboxamide

2-(2,2-difluoroethoxy)-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpyridine-3-carboxamide (PubChem CID 75434206) has the molecular formula C17H16F2N2O3 and a molecular weight of 334.32 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpyridine-3-carboxamide
PubChem CID75434206
Molecular FormulaC17H16F2N2O3
Molecular Weight334.32 g/mol
Exact Mass334.11
IUPAC Name2-(2,2-difluoroethoxy)-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpyridine-3-carboxamide
SMILESCN(C(=O)c1cccnc1OCC(F)F)c1ccc2c(c1)CCO2
InChIInChI=1S/C17H16F2N2O3/c1-21(12-4-5-14-11(9-12)6-8-23-14)17(22)13-3-2-7-20-16(13)24-10-15(18)19/h2-5,7,9,15H,6,8,10H2,1H3
InChIKeyMCANKUAJGPRLLX-UHFFFAOYSA-N
XLogP2.94
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.32
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dihydro-1-benzofuran-5-yloxy)pyridine-3-carboxamide
CID 141060321
N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylcarbamoyl chloride
CID 115194555
3-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylbenzamide
CID 115160758
N-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-2-oxopropanamide
CID 115175533
N-[(2S)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-2-methylsulfanylpyridine-3-carboxamide
CID 97042451
3-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-1-methylurea
CID 115192561
N-(6-amino-3-pyridinyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 115274571
3-amino-4-[2,3-dihydro-1-benzofuran-5-yl(methyl)amino]-4-oxobutanoic acid
CID 115181283
N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylhydroxylamine
CID 145016330
N-(4-hydroxyphenyl)-2-methoxy-N-methylpyridine-3-carboxamide
CID 60744120
N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpiperazine-1-carboxamide
CID 115171539
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,2-dimethylbenzamide
CID 110752792

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxy)-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpyridine-3-carboxamide?
The IUPAC name of 2-(2,2-difluoroethoxy)-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpyridine-3-carboxamide (CID 75434206) is 2-(2,2-difluoroethoxy)-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-(2,2-difluoroethoxy)-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpyridine-3-carboxamide?
The canonical SMILES for 2-(2,2-difluoroethoxy)-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpyridine-3-carboxamide is CN(C(=O)c1cccnc1OCC(F)F)c1ccc2c(c1)CCO2.
What is the InChIKey of 2-(2,2-difluoroethoxy)-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpyridine-3-carboxamide?
The InChIKey is MCANKUAJGPRLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O3/c1-21(12-4-5-14-11(9-12)6-8-23-14)17(22)13-3-2-7-20-16(13)24-10-15(18)19/h2-5,7,9,15H,6,8,10H2,1H3.
What are the key properties of 2-(2,2-difluoroethoxy)-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpyridine-3-carboxamide?
2-(2,2-difluoroethoxy)-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpyridine-3-carboxamide has a molecular weight of 334.32 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxy)-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 75434206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).