2,4-difluoro-5-[(6-methyl-3-pyridinyl)methylamino]benzamide

C14H13F2N3O — CID 104821841

IUPAC2,4-difluoro-5-[(6-methyl-3-pyridinyl)methylamino]benzamide
SMILESCc1ccc(CNc2cc(C(N)=O)c(F)cc2F)cn1
InChIInChI=1S/C14H13F2N3O/c1-8-2-3-9(6-18-8)7-19-13-4-10(14(17)20)11(15)5-12(13)16/h2-6,19H,7H2,1H3,(H2,17,20)
InChIKeyAXDXUAOHIHYDGP-UHFFFAOYSA-N
MW277.27 g/mol
LogP2.38
Rot. Bonds4

About 2,4-difluoro-5-[(6-methyl-3-pyridinyl)methylamino]benzamide

2,4-difluoro-5-[(6-methyl-3-pyridinyl)methylamino]benzamide (PubChem CID 104821841) has the molecular formula C14H13F2N3O and a molecular weight of 277.27 g/mol. Its IUPAC name is 2,4-difluoro-5-[(6-methyl-3-pyridinyl)methylamino]benzamide.

Molecular Properties

Compound Name2,4-difluoro-5-[(6-methyl-3-pyridinyl)methylamino]benzamide
PubChem CID104821841
Molecular FormulaC14H13F2N3O
Molecular Weight277.27 g/mol
Exact Mass277.10
IUPAC Name2,4-difluoro-5-[(6-methyl-3-pyridinyl)methylamino]benzamide
SMILESCc1ccc(CNc2cc(C(N)=O)c(F)cc2F)cn1
InChIInChI=1S/C14H13F2N3O/c1-8-2-3-9(6-18-8)7-19-13-4-10(14(17)20)11(15)5-12(13)16/h2-6,19H,7H2,1H3,(H2,17,20)
InChIKeyAXDXUAOHIHYDGP-UHFFFAOYSA-N
XLogP2.38
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3,4-dimethylphenyl)methylamino]-2,4-difluorobenzamide
CID 43779137
5-[(4-chlorophenyl)methylamino]-2,4-difluorobenzamide
CID 43673715
2,4-difluoro-5-(pyridin-4-ylmethylamino)benzamide
CID 43673750
5-[(3-bromo-4-methylphenyl)methylamino]-2,4-difluorobenzamide
CID 105401144
2-amino-5-[(6-methyl-3-pyridinyl)methylamino]benzamide
CID 62989638
4-fluoro-5-iodo-2-N-[(6-methyl-3-pyridinyl)methyl]benzene-1,2-diamine
CID 66100710
4-chloro-3-[(6-methyl-3-pyridinyl)methylamino]benzamide
CID 104821854
4-bromo-2-fluoro-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 104821802
4-[(2,4,5-trifluoroanilino)methyl]benzamide
CID 62815712
2-[(6-chloro-3-pyridinyl)methylamino]-5-fluoro-4-methylbenzamide
CID 71978030
4-bromo-5-fluoro-1-N-[(6-methyl-3-pyridinyl)methyl]benzene-1,2-diamine
CID 66110547
2,4-difluoro-5-(pyrazin-2-ylmethylamino)benzamide
CID 62763594

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-5-[(6-methyl-3-pyridinyl)methylamino]benzamide?
The IUPAC name of 2,4-difluoro-5-[(6-methyl-3-pyridinyl)methylamino]benzamide (CID 104821841) is 2,4-difluoro-5-[(6-methyl-3-pyridinyl)methylamino]benzamide.
What is the SMILES notation for 2,4-difluoro-5-[(6-methyl-3-pyridinyl)methylamino]benzamide?
The canonical SMILES for 2,4-difluoro-5-[(6-methyl-3-pyridinyl)methylamino]benzamide is Cc1ccc(CNc2cc(C(N)=O)c(F)cc2F)cn1.
What is the InChIKey of 2,4-difluoro-5-[(6-methyl-3-pyridinyl)methylamino]benzamide?
The InChIKey is AXDXUAOHIHYDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N3O/c1-8-2-3-9(6-18-8)7-19-13-4-10(14(17)20)11(15)5-12(13)16/h2-6,19H,7H2,1H3,(H2,17,20).
What are the key properties of 2,4-difluoro-5-[(6-methyl-3-pyridinyl)methylamino]benzamide?
2,4-difluoro-5-[(6-methyl-3-pyridinyl)methylamino]benzamide has a molecular weight of 277.27 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-5-[(6-methyl-3-pyridinyl)methylamino]benzamide is sourced from PubChem (CID 104821841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).