N-(3,3-difluoropiperidin-4-yl)-2-methyl-5-[(6-oxo-1H-pyridin-2-yl)methoxy]-1-benzofuran-3-carboxamide

C21H21F2N3O4 — CID 163380334

IUPACN-(3,3-difluoropiperidin-4-yl)-2-methyl-5-[(6-oxo-1H-pyridin-2-yl)methoxy]-1-benzofuran-3-carboxamide
SMILESCc1oc2ccc(OCc3cccc(=O)[nH]3)cc2c1C(=O)NC1CCNCC1(F)F
InChIInChI=1S/C21H21F2N3O4/c1-12-19(20(28)26-17-7-8-24-11-21(17,22)23)15-9-14(5-6-16(15)30-12)29-10-13-3-2-4-18(27)25-13/h2-6,9,17,24H,7-8,10-11H2,1H3,(H,25,27)(H,26,28)
InChIKeyWCCPZHAKYVFEHM-UHFFFAOYSA-N
MW417.41 g/mol
LogP2.74
Rot. Bonds5

About N-(3,3-difluoropiperidin-4-yl)-2-methyl-5-[(6-oxo-1H-pyridin-2-yl)methoxy]-1-benzofuran-3-carboxamide

N-(3,3-difluoropiperidin-4-yl)-2-methyl-5-[(6-oxo-1H-pyridin-2-yl)methoxy]-1-benzofuran-3-carboxamide (PubChem CID 163380334) has the molecular formula C21H21F2N3O4 and a molecular weight of 417.41 g/mol. Its IUPAC name is N-(3,3-difluoropiperidin-4-yl)-2-methyl-5-[(6-oxo-1H-pyridin-2-yl)methoxy]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-(3,3-difluoropiperidin-4-yl)-2-methyl-5-[(6-oxo-1H-pyridin-2-yl)methoxy]-1-benzofuran-3-carboxamide
PubChem CID163380334
Molecular FormulaC21H21F2N3O4
Molecular Weight417.41 g/mol
Exact Mass417.15
IUPAC NameN-(3,3-difluoropiperidin-4-yl)-2-methyl-5-[(6-oxo-1H-pyridin-2-yl)methoxy]-1-benzofuran-3-carboxamide
SMILESCc1oc2ccc(OCc3cccc(=O)[nH]3)cc2c1C(=O)NC1CCNCC1(F)F
InChIInChI=1S/C21H21F2N3O4/c1-12-19(20(28)26-17-7-8-24-11-21(17,22)23)15-9-14(5-6-16(15)30-12)29-10-13-3-2-4-18(27)25-13/h2-6,9,17,24H,7-8,10-11H2,1H3,(H,25,27)(H,26,28)
InChIKeyWCCPZHAKYVFEHM-UHFFFAOYSA-N
XLogP2.74
TPSA96.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.41
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoropiperidin-4-yl)-2-methyl-5-[(6-oxo-1H-pyridin-2-yl)methoxy]-1-benzofuran-3-carboxamide?
The IUPAC name of N-(3,3-difluoropiperidin-4-yl)-2-methyl-5-[(6-oxo-1H-pyridin-2-yl)methoxy]-1-benzofuran-3-carboxamide (CID 163380334) is N-(3,3-difluoropiperidin-4-yl)-2-methyl-5-[(6-oxo-1H-pyridin-2-yl)methoxy]-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-(3,3-difluoropiperidin-4-yl)-2-methyl-5-[(6-oxo-1H-pyridin-2-yl)methoxy]-1-benzofuran-3-carboxamide?
The canonical SMILES for N-(3,3-difluoropiperidin-4-yl)-2-methyl-5-[(6-oxo-1H-pyridin-2-yl)methoxy]-1-benzofuran-3-carboxamide is Cc1oc2ccc(OCc3cccc(=O)[nH]3)cc2c1C(=O)NC1CCNCC1(F)F.
What is the InChIKey of N-(3,3-difluoropiperidin-4-yl)-2-methyl-5-[(6-oxo-1H-pyridin-2-yl)methoxy]-1-benzofuran-3-carboxamide?
The InChIKey is WCCPZHAKYVFEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N3O4/c1-12-19(20(28)26-17-7-8-24-11-21(17,22)23)15-9-14(5-6-16(15)30-12)29-10-13-3-2-4-18(27)25-13/h2-6,9,17,24H,7-8,10-11H2,1H3,(H,25,27)(H,26,28).
What are the key properties of N-(3,3-difluoropiperidin-4-yl)-2-methyl-5-[(6-oxo-1H-pyridin-2-yl)methoxy]-1-benzofuran-3-carboxamide?
N-(3,3-difluoropiperidin-4-yl)-2-methyl-5-[(6-oxo-1H-pyridin-2-yl)methoxy]-1-benzofuran-3-carboxamide has a molecular weight of 417.41 g/mol, XLogP of 2.74, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoropiperidin-4-yl)-2-methyl-5-[(6-oxo-1H-pyridin-2-yl)methoxy]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 163380334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).