N-(1,3-dihydro-2-benzofuran-5-ylmethyl)-2-[(2-fluorophenyl)methoxy]pyridine-3-carboxamide

C22H19FN2O3 — CID 167892732

IUPACN-(1,3-dihydro-2-benzofuran-5-ylmethyl)-2-[(2-fluorophenyl)methoxy]pyridine-3-carboxamide
SMILESO=C(NCc1ccc2c(c1)COC2)c1cccnc1OCc1ccccc1F
InChIInChI=1S/C22H19FN2O3/c23-20-6-2-1-4-17(20)14-28-22-19(5-3-9-24-22)21(26)25-11-15-7-8-16-12-27-13-18(16)10-15/h1-10H,11-14H2,(H,25,26)
InChIKeyDJCNHGVLCXXSGQ-UHFFFAOYSA-N
MW378.40 g/mol
LogP3.76
Rot. Bonds6

About N-(1,3-dihydro-2-benzofuran-5-ylmethyl)-2-[(2-fluorophenyl)methoxy]pyridine-3-carboxamide

N-(1,3-dihydro-2-benzofuran-5-ylmethyl)-2-[(2-fluorophenyl)methoxy]pyridine-3-carboxamide (PubChem CID 167892732) has the molecular formula C22H19FN2O3 and a molecular weight of 378.40 g/mol. Its IUPAC name is N-(1,3-dihydro-2-benzofuran-5-ylmethyl)-2-[(2-fluorophenyl)methoxy]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-dihydro-2-benzofuran-5-ylmethyl)-2-[(2-fluorophenyl)methoxy]pyridine-3-carboxamide
PubChem CID167892732
Molecular FormulaC22H19FN2O3
Molecular Weight378.40 g/mol
Exact Mass378.14
IUPAC NameN-(1,3-dihydro-2-benzofuran-5-ylmethyl)-2-[(2-fluorophenyl)methoxy]pyridine-3-carboxamide
SMILESO=C(NCc1ccc2c(c1)COC2)c1cccnc1OCc1ccccc1F
InChIInChI=1S/C22H19FN2O3/c23-20-6-2-1-4-17(20)14-28-22-19(5-3-9-24-22)21(26)25-11-15-7-8-16-12-27-13-18(16)10-15/h1-10H,11-14H2,(H,25,26)
InChIKeyDJCNHGVLCXXSGQ-UHFFFAOYSA-N
XLogP3.76
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-fluorophenyl)methoxy]-N-[(3R)-oxolan-3-yl]pyridine-3-carboxamide
CID 124850619
N-[(2-fluorophenyl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 31900375
N-[(2-fluorophenyl)methyl]-2-[(3R)-thiolan-3-yl]oxypyridine-3-carboxamide
CID 124759309
N-(1,3-benzodioxol-5-ylmethyl)-2-fluorobenzamide
CID 674890
N-[(3,4-dichlorophenyl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 2727206
N-[(2-fluorophenyl)methyl]-2-hydrazinylpyridine-3-carboxamide
CID 62247960
2-[(2-fluorophenyl)methoxy]-N'-hydroxypyridine-3-carboximidamide
CID 56675331
N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-2-ethoxypyridine-3-carboxamide
CID 90650071
2-[(2-fluorophenyl)methoxy]pyridine-3-carboximidamide
CID 63937561
N-[(2-hydroxyphenyl)methyl]-2-methoxypyridine-3-carboxamide
CID 115598782
2-methoxy-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]pyridine-3-carboxamide
CID 75503782
2-methoxy-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 110850721

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydro-2-benzofuran-5-ylmethyl)-2-[(2-fluorophenyl)methoxy]pyridine-3-carboxamide?
The IUPAC name of N-(1,3-dihydro-2-benzofuran-5-ylmethyl)-2-[(2-fluorophenyl)methoxy]pyridine-3-carboxamide (CID 167892732) is N-(1,3-dihydro-2-benzofuran-5-ylmethyl)-2-[(2-fluorophenyl)methoxy]pyridine-3-carboxamide.
What is the SMILES notation for N-(1,3-dihydro-2-benzofuran-5-ylmethyl)-2-[(2-fluorophenyl)methoxy]pyridine-3-carboxamide?
The canonical SMILES for N-(1,3-dihydro-2-benzofuran-5-ylmethyl)-2-[(2-fluorophenyl)methoxy]pyridine-3-carboxamide is O=C(NCc1ccc2c(c1)COC2)c1cccnc1OCc1ccccc1F.
What is the InChIKey of N-(1,3-dihydro-2-benzofuran-5-ylmethyl)-2-[(2-fluorophenyl)methoxy]pyridine-3-carboxamide?
The InChIKey is DJCNHGVLCXXSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O3/c23-20-6-2-1-4-17(20)14-28-22-19(5-3-9-24-22)21(26)25-11-15-7-8-16-12-27-13-18(16)10-15/h1-10H,11-14H2,(H,25,26).
What are the key properties of N-(1,3-dihydro-2-benzofuran-5-ylmethyl)-2-[(2-fluorophenyl)methoxy]pyridine-3-carboxamide?
N-(1,3-dihydro-2-benzofuran-5-ylmethyl)-2-[(2-fluorophenyl)methoxy]pyridine-3-carboxamide has a molecular weight of 378.40 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydro-2-benzofuran-5-ylmethyl)-2-[(2-fluorophenyl)methoxy]pyridine-3-carboxamide is sourced from PubChem (CID 167892732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).