4-(3-fluoro-2-pyridinyl)-N-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]benzamide

C18H20FN3O — CID 126434542

IUPAC4-(3-fluoro-2-pyridinyl)-N-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]benzamide
SMILESCN1CC[C@@H](N(C)C(=O)c2ccc(-c3ncccc3F)cc2)C1
InChIInChI=1S/C18H20FN3O/c1-21-11-9-15(12-21)22(2)18(23)14-7-5-13(6-8-14)17-16(19)4-3-10-20-17/h3-8,10,15H,9,11-12H2,1-2H3/t15-/m1/s1
InChIKeyFNZXBFGUIOBBJV-OAHLLOKOSA-N
MW313.38 g/mol
LogP2.66
Rot. Bonds3

About 4-(3-fluoro-2-pyridinyl)-N-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]benzamide

4-(3-fluoro-2-pyridinyl)-N-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]benzamide (PubChem CID 126434542) has the molecular formula C18H20FN3O and a molecular weight of 313.38 g/mol. Its IUPAC name is 4-(3-fluoro-2-pyridinyl)-N-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name4-(3-fluoro-2-pyridinyl)-N-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]benzamide
PubChem CID126434542
Molecular FormulaC18H20FN3O
Molecular Weight313.38 g/mol
Exact Mass313.16
IUPAC Name4-(3-fluoro-2-pyridinyl)-N-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]benzamide
SMILESCN1CC[C@@H](N(C)C(=O)c2ccc(-c3ncccc3F)cc2)C1
InChIInChI=1S/C18H20FN3O/c1-21-11-9-15(12-21)22(2)18(23)14-7-5-13(6-8-14)17-16(19)4-3-10-20-17/h3-8,10,15H,9,11-12H2,1-2H3/t15-/m1/s1
InChIKeyFNZXBFGUIOBBJV-OAHLLOKOSA-N
XLogP2.66
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-N-methyl-N-(1-methylpyrrolidin-3-yl)benzamide
CID 121450358
4-(1,5-dimethylindazol-3-yl)-N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]benzamide
CID 125441424
N-[(3R)-1,1-dioxothiolan-3-yl]-3-(3-fluoro-2-pyridinyl)-N-methylbenzamide
CID 126425276
N-methyl-N-(1-methylpiperidin-4-yl)-4-(2-methyl-4-pyridinyl)benzamide
CID 119058550
2-(hydroxymethyl)-N-methyl-N-(1-methylpyrrolidin-3-yl)pyridine-4-carboxamide
CID 115116084
2-chloro-5-[4-[methyl-(1-methylpyrrolidin-3-yl)carbamoyl]phenyl]benzamide
CID 122558217
4-bromo-3-fluoro-N-methyl-N-(1-methylpiperidin-3-yl)benzamide
CID 62546980
3-fluoro-N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]imidazo[1,2-a]pyridine-2-carboxamide
CID 99939542
4-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]-N-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]benzamide
CID 125442995
ethyl 6-[3-[methyl-[(3R)-1-methylpyrrolidin-3-yl]carbamoyl]phenyl]pyridine-3-carboxylate
CID 126439885
1-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]-1,3,3-trimethylurea
CID 166603345
N-methyl-N-(1-methylpiperidin-4-yl)-6-phenylpyridine-3-carboxamide
CID 42802995

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-2-pyridinyl)-N-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]benzamide?
The IUPAC name of 4-(3-fluoro-2-pyridinyl)-N-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]benzamide (CID 126434542) is 4-(3-fluoro-2-pyridinyl)-N-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]benzamide.
What is the SMILES notation for 4-(3-fluoro-2-pyridinyl)-N-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]benzamide?
The canonical SMILES for 4-(3-fluoro-2-pyridinyl)-N-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]benzamide is CN1CC[C@@H](N(C)C(=O)c2ccc(-c3ncccc3F)cc2)C1.
What is the InChIKey of 4-(3-fluoro-2-pyridinyl)-N-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]benzamide?
The InChIKey is FNZXBFGUIOBBJV-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H20FN3O/c1-21-11-9-15(12-21)22(2)18(23)14-7-5-13(6-8-14)17-16(19)4-3-10-20-17/h3-8,10,15H,9,11-12H2,1-2H3/t15-/m1/s1.
What are the key properties of 4-(3-fluoro-2-pyridinyl)-N-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]benzamide?
4-(3-fluoro-2-pyridinyl)-N-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]benzamide has a molecular weight of 313.38 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-2-pyridinyl)-N-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]benzamide is sourced from PubChem (CID 126434542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).