3-fluoro-4-[[(3-methyl-2-pyridinyl)methylamino]methyl]benzamide

C15H16FN3O — CID 63306626

IUPAC3-fluoro-4-[[(3-methyl-2-pyridinyl)methylamino]methyl]benzamide
SMILESCc1cccnc1CNCc1ccc(C(N)=O)cc1F
InChIInChI=1S/C15H16FN3O/c1-10-3-2-6-19-14(10)9-18-8-12-5-4-11(15(17)20)7-13(12)16/h2-7,18H,8-9H2,1H3,(H2,17,20)
InChIKeyIVYIJKQNSJNBMO-UHFFFAOYSA-N
MW273.31 g/mol
LogP1.92
Rot. Bonds5

About 3-fluoro-4-[[(3-methyl-2-pyridinyl)methylamino]methyl]benzamide

3-fluoro-4-[[(3-methyl-2-pyridinyl)methylamino]methyl]benzamide (PubChem CID 63306626) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is 3-fluoro-4-[[(3-methyl-2-pyridinyl)methylamino]methyl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-[[(3-methyl-2-pyridinyl)methylamino]methyl]benzamide
PubChem CID63306626
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC Name3-fluoro-4-[[(3-methyl-2-pyridinyl)methylamino]methyl]benzamide
SMILESCc1cccnc1CNCc1ccc(C(N)=O)cc1F
InChIInChI=1S/C15H16FN3O/c1-10-3-2-6-19-14(10)9-18-8-12-5-4-11(15(17)20)7-13(12)16/h2-7,18H,8-9H2,1H3,(H2,17,20)
InChIKeyIVYIJKQNSJNBMO-UHFFFAOYSA-N
XLogP1.92
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(3-ethyl-2-pyridinyl)methylamino]methyl]-4-fluorobenzamide
CID 82736523
4-[(3-methyl-2-pyridinyl)methylamino]benzamide
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CID 63305615
4-amino-3,5-difluoro-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 63309173
4-[(tert-butylamino)methyl]-3-fluorobenzamide
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CID 63306579
4-fluoro-3-methyl-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 55205389
5-methoxy-2-[[(3-methyl-2-pyridinyl)methylamino]methyl]phenol
CID 55203662
3-fluoro-4-[[(2-methyl-2-methylsulfonylpropyl)amino]methyl]benzamide
CID 79552109
4-[[3-(dimethylamino)propylamino]methyl]-3-fluorobenzamide
CID 28583705
4-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]-3-fluorobenzamide
CID 43566993
3-fluoro-4-[(4-fluoro-3-methylanilino)methyl]benzamide
CID 62810109

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[[(3-methyl-2-pyridinyl)methylamino]methyl]benzamide?
The IUPAC name of 3-fluoro-4-[[(3-methyl-2-pyridinyl)methylamino]methyl]benzamide (CID 63306626) is 3-fluoro-4-[[(3-methyl-2-pyridinyl)methylamino]methyl]benzamide.
What is the SMILES notation for 3-fluoro-4-[[(3-methyl-2-pyridinyl)methylamino]methyl]benzamide?
The canonical SMILES for 3-fluoro-4-[[(3-methyl-2-pyridinyl)methylamino]methyl]benzamide is Cc1cccnc1CNCc1ccc(C(N)=O)cc1F.
What is the InChIKey of 3-fluoro-4-[[(3-methyl-2-pyridinyl)methylamino]methyl]benzamide?
The InChIKey is IVYIJKQNSJNBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O/c1-10-3-2-6-19-14(10)9-18-8-12-5-4-11(15(17)20)7-13(12)16/h2-7,18H,8-9H2,1H3,(H2,17,20).
What are the key properties of 3-fluoro-4-[[(3-methyl-2-pyridinyl)methylamino]methyl]benzamide?
3-fluoro-4-[[(3-methyl-2-pyridinyl)methylamino]methyl]benzamide has a molecular weight of 273.31 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[[(3-methyl-2-pyridinyl)methylamino]methyl]benzamide is sourced from PubChem (CID 63306626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).