N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide

C23H23FN4O2 — CID 139012938

IUPACN-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide
SMILESCc1ccc(OCc2cccc(C(=O)NC3CCN(c4ncccc4F)C3)c2)cn1
InChIInChI=1S/C23H23FN4O2/c1-16-7-8-20(13-26-16)30-15-17-4-2-5-18(12-17)23(29)27-19-9-11-28(14-19)22-21(24)6-3-10-25-22/h2-8,10,12-13,19H,9,11,14-15H2,1H3,(H,27,29)
InChIKeyFQSIOEZNQLKZQD-UHFFFAOYSA-N
MW406.46 g/mol
LogP3.51
Rot. Bonds6

About N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide

N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide (PubChem CID 139012938) has the molecular formula C23H23FN4O2 and a molecular weight of 406.46 g/mol. Its IUPAC name is N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide.

Molecular Properties

Compound NameN-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide
PubChem CID139012938
Molecular FormulaC23H23FN4O2
Molecular Weight406.46 g/mol
Exact Mass406.18
IUPAC NameN-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide
SMILESCc1ccc(OCc2cccc(C(=O)NC3CCN(c4ncccc4F)C3)c2)cn1
InChIInChI=1S/C23H23FN4O2/c1-16-7-8-20(13-26-16)30-15-17-4-2-5-18(12-17)23(29)27-19-9-11-28(14-19)22-21(24)6-3-10-25-22/h2-8,10,12-13,19H,9,11,14-15H2,1H3,(H,27,29)
InChIKeyFQSIOEZNQLKZQD-UHFFFAOYSA-N
XLogP3.51
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide
CID 86950753
5-[(2,4-dimethylphenoxy)methyl]-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]furan-2-carboxamide
CID 139012930
2-chloro-6-fluoro-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]benzamide
CID 71921906
N-[3-(methylamino)propyl]-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide;dihydrochloride
CID 119430510
N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-4-oxo-1H-pyridine-2-carboxamide
CID 136564462
1-[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]pyrrolidine-2-carboxylic acid
CID 119355401
1-[[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]amino]cyclopropane-1-carboxylic acid
CID 120530535
N-(2-amino-1-cyclohexylethyl)-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide;dihydrochloride
CID 119589690
2-(dimethylamino)-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 84592874
5-chloro-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-1-benzofuran-2-carboxamide
CID 126773696
N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]benzamide
CID 166217661
[4-(1-aminoethyl)piperidin-1-yl]-[3-[(6-methyl-3-pyridinyl)oxymethyl]phenyl]methanone
CID 119517657

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide?
The IUPAC name of N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide (CID 139012938) is N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide.
What is the SMILES notation for N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide?
The canonical SMILES for N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide is Cc1ccc(OCc2cccc(C(=O)NC3CCN(c4ncccc4F)C3)c2)cn1.
What is the InChIKey of N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide?
The InChIKey is FQSIOEZNQLKZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O2/c1-16-7-8-20(13-26-16)30-15-17-4-2-5-18(12-17)23(29)27-19-9-11-28(14-19)22-21(24)6-3-10-25-22/h2-8,10,12-13,19H,9,11,14-15H2,1H3,(H,27,29).
What are the key properties of N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide?
N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide has a molecular weight of 406.46 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-[(6-methyl-3-pyridinyl)oxymethyl]benzamide is sourced from PubChem (CID 139012938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).