5-(3,5-difluorophenyl)-N-(3H-isoindol-4-ylmethyl)-6-methoxy-N-methylpyridine-2-carboxamide

C23H19F2N3O2 — CID 167569990

IUPAC5-(3,5-difluorophenyl)-N-(3H-isoindol-4-ylmethyl)-6-methoxy-N-methylpyridine-2-carboxamide
SMILESCOc1nc(C(=O)N(C)Cc2cccc3c2CN=C3)ccc1-c1cc(F)cc(F)c1
InChIInChI=1S/C23H19F2N3O2/c1-28(13-15-5-3-4-14-11-26-12-20(14)15)23(29)21-7-6-19(22(27-21)30-2)16-8-17(24)10-18(25)9-16/h3-11H,12-13H2,1-2H3
InChIKeyFTVUFAOOXUEPGE-UHFFFAOYSA-N
MW407.42 g/mol
LogP4.24
Rot. Bonds5

About 5-(3,5-difluorophenyl)-N-(3H-isoindol-4-ylmethyl)-6-methoxy-N-methylpyridine-2-carboxamide

5-(3,5-difluorophenyl)-N-(3H-isoindol-4-ylmethyl)-6-methoxy-N-methylpyridine-2-carboxamide (PubChem CID 167569990) has the molecular formula C23H19F2N3O2 and a molecular weight of 407.42 g/mol. Its IUPAC name is 5-(3,5-difluorophenyl)-N-(3H-isoindol-4-ylmethyl)-6-methoxy-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3,5-difluorophenyl)-N-(3H-isoindol-4-ylmethyl)-6-methoxy-N-methylpyridine-2-carboxamide
PubChem CID167569990
Molecular FormulaC23H19F2N3O2
Molecular Weight407.42 g/mol
Exact Mass407.14
IUPAC Name5-(3,5-difluorophenyl)-N-(3H-isoindol-4-ylmethyl)-6-methoxy-N-methylpyridine-2-carboxamide
SMILESCOc1nc(C(=O)N(C)Cc2cccc3c2CN=C3)ccc1-c1cc(F)cc(F)c1
InChIInChI=1S/C23H19F2N3O2/c1-28(13-15-5-3-4-14-11-26-12-20(14)15)23(29)21-7-6-19(22(27-21)30-2)16-8-17(24)10-18(25)9-16/h3-11H,12-13H2,1-2H3
InChIKeyFTVUFAOOXUEPGE-UHFFFAOYSA-N
XLogP4.24
TPSA54.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.42
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(fluoromethyl)-4-(3-fluorophenyl)-N-(3H-isoindol-4-ylmethyl)-N-methylbenzamide
CID 167643591
4-(2-fluorophenyl)-N-(3H-isoindol-4-ylmethyl)-3-methoxy-N-methylbenzamide
CID 167538299
5-(3-cyanophenyl)-6-cyclopropyloxy-N-[(7-fluoro-3H-isoindol-4-yl)methyl]-N-methylpyridine-2-carboxamide
CID 167575131
5-(3-cyanophenyl)-6-cyclopropyloxy-N-[(6-methoxy-1H-pyrrolo[3,4-c]pyridin-7-yl)methyl]-N-methylpyridine-2-carboxamide
CID 167570289
3-ethoxy-N-(3H-isoindol-4-ylmethyl)-N-methyl-4-(1,2-thiazol-5-yl)benzamide
CID 167701457
3-cyclopropyloxy-4-(3-fluorophenyl)-N-[[7-(hydroxymethyl)-3H-isoindol-4-yl]methyl]-N-methylbenzamide
CID 174089150
7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-1H-isoindole-4-carboxylic acid
CID 167668443
5-(3-cyano-5-fluorophenyl)-6-cyclopropyloxy-N-[[4-(fluoromethyl)-1H-indazol-7-yl]methyl]-N-methylpyridine-2-carboxamide
CID 165385111
6-amino-N-[(2-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide
CID 62239842
methyl 7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-1H-pyrrolo[3,4-c]pyridine-4-carboxylate
CID 167619828
7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-1H-pyrrolo[3,4-c]pyridine-4-carboxylic acid
CID 167600153
3,5-difluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 78769060

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-difluorophenyl)-N-(3H-isoindol-4-ylmethyl)-6-methoxy-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-(3,5-difluorophenyl)-N-(3H-isoindol-4-ylmethyl)-6-methoxy-N-methylpyridine-2-carboxamide (CID 167569990) is 5-(3,5-difluorophenyl)-N-(3H-isoindol-4-ylmethyl)-6-methoxy-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-(3,5-difluorophenyl)-N-(3H-isoindol-4-ylmethyl)-6-methoxy-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-(3,5-difluorophenyl)-N-(3H-isoindol-4-ylmethyl)-6-methoxy-N-methylpyridine-2-carboxamide is COc1nc(C(=O)N(C)Cc2cccc3c2CN=C3)ccc1-c1cc(F)cc(F)c1.
What is the InChIKey of 5-(3,5-difluorophenyl)-N-(3H-isoindol-4-ylmethyl)-6-methoxy-N-methylpyridine-2-carboxamide?
The InChIKey is FTVUFAOOXUEPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N3O2/c1-28(13-15-5-3-4-14-11-26-12-20(14)15)23(29)21-7-6-19(22(27-21)30-2)16-8-17(24)10-18(25)9-16/h3-11H,12-13H2,1-2H3.
What are the key properties of 5-(3,5-difluorophenyl)-N-(3H-isoindol-4-ylmethyl)-6-methoxy-N-methylpyridine-2-carboxamide?
5-(3,5-difluorophenyl)-N-(3H-isoindol-4-ylmethyl)-6-methoxy-N-methylpyridine-2-carboxamide has a molecular weight of 407.42 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-difluorophenyl)-N-(3H-isoindol-4-ylmethyl)-6-methoxy-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 167569990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).