N-[2-(3-fluorophenoxy)ethyl]-6-methoxy-N-methylpyridine-2-carboxamide

C16H17FN2O3 — CID 71974522

IUPACN-[2-(3-fluorophenoxy)ethyl]-6-methoxy-N-methylpyridine-2-carboxamide
SMILESCOc1cccc(C(=O)N(C)CCOc2cccc(F)c2)n1
InChIInChI=1S/C16H17FN2O3/c1-19(9-10-22-13-6-3-5-12(17)11-13)16(20)14-7-4-8-15(18-14)21-2/h3-8,11H,9-10H2,1-2H3
InChIKeyVVKWRJJMPWIQRJ-UHFFFAOYSA-N
MW304.32 g/mol
LogP2.38
Rot. Bonds6

About N-[2-(3-fluorophenoxy)ethyl]-6-methoxy-N-methylpyridine-2-carboxamide

N-[2-(3-fluorophenoxy)ethyl]-6-methoxy-N-methylpyridine-2-carboxamide (PubChem CID 71974522) has the molecular formula C16H17FN2O3 and a molecular weight of 304.32 g/mol. Its IUPAC name is N-[2-(3-fluorophenoxy)ethyl]-6-methoxy-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenoxy)ethyl]-6-methoxy-N-methylpyridine-2-carboxamide
PubChem CID71974522
Molecular FormulaC16H17FN2O3
Molecular Weight304.32 g/mol
Exact Mass304.12
IUPAC NameN-[2-(3-fluorophenoxy)ethyl]-6-methoxy-N-methylpyridine-2-carboxamide
SMILESCOc1cccc(C(=O)N(C)CCOc2cccc(F)c2)n1
InChIInChI=1S/C16H17FN2O3/c1-19(9-10-22-13-6-3-5-12(17)11-13)16(20)14-7-4-8-15(18-14)21-2/h3-8,11H,9-10H2,1-2H3
InChIKeyVVKWRJJMPWIQRJ-UHFFFAOYSA-N
XLogP2.38
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-Cyclobutyl-1,4-diazepan-1-yl)(5-(2-fluorophenoxy)pyridin-2-yl)methanone
CID 24770908
N-(4-Ethoxyphenyl)picolinamide
CID 904031
[3-(2-Tert-butyl-4-fluorophenoxy)azetidin-1-yl]-pyridin-2-ylmethanone
CID 59577179
6-butoxy-N-(2-(4-((2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)-1,4-diazepan-1-yl)ethyl)picolinamide
CID 44579230
(4-Cyclobutyl-1,4-diazepan-1-yl)(5-(3-fluorophenoxy)pyridin-2-yl)methanone
CID 24770907
(4-Cyclobutyl-1,4-diazepan-1-yl)(5-(4-fluorophenoxy)pyridin-2-yl)methanone
CID 24771741
6-fluoro-N-(4-fluoro-3-methoxyphenyl)pyridine-2-carboxamide
CID 42644790
(4-Cyclobutyl-1,4-diazepan-1-yl)(4-(4-fluorophenoxy)pyridin-2-yl)methanone
CID 49797824
N-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]-6-methylpyridine-2-carboxamide
CID 60204112
6-Cyclopropylmethoxy-5-(3,3-difluoro-azetidin-1-yl)-pyridine-2-carboxylic acid tert-butyl-ethyl-amide
CID 90203769
N-[7-amino-1-(2,6-difluorophenoxy)-2-oxoheptan-3-yl]-6-fluoropyridine-2-carboxamide
CID 134347942
6-fluoro-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyridine-2-carboxamide
CID 44403220

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenoxy)ethyl]-6-methoxy-N-methylpyridine-2-carboxamide?
The IUPAC name of N-[2-(3-fluorophenoxy)ethyl]-6-methoxy-N-methylpyridine-2-carboxamide (CID 71974522) is N-[2-(3-fluorophenoxy)ethyl]-6-methoxy-N-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[2-(3-fluorophenoxy)ethyl]-6-methoxy-N-methylpyridine-2-carboxamide?
The canonical SMILES for N-[2-(3-fluorophenoxy)ethyl]-6-methoxy-N-methylpyridine-2-carboxamide is COc1cccc(C(=O)N(C)CCOc2cccc(F)c2)n1.
What is the InChIKey of N-[2-(3-fluorophenoxy)ethyl]-6-methoxy-N-methylpyridine-2-carboxamide?
The InChIKey is VVKWRJJMPWIQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3/c1-19(9-10-22-13-6-3-5-12(17)11-13)16(20)14-7-4-8-15(18-14)21-2/h3-8,11H,9-10H2,1-2H3.
What are the key properties of N-[2-(3-fluorophenoxy)ethyl]-6-methoxy-N-methylpyridine-2-carboxamide?
N-[2-(3-fluorophenoxy)ethyl]-6-methoxy-N-methylpyridine-2-carboxamide has a molecular weight of 304.32 g/mol, XLogP of 2.38, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenoxy)ethyl]-6-methoxy-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 71974522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).