3,4-difluoro-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzamide

C18H14F2N4O — CID 113027675

IUPAC3,4-difluoro-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzamide
SMILESO=C(Nc1ccc(NCc2ccccn2)cn1)c1ccc(F)c(F)c1
InChIInChI=1S/C18H14F2N4O/c19-15-6-4-12(9-16(15)20)18(25)24-17-7-5-14(11-23-17)22-10-13-3-1-2-8-21-13/h1-9,11,22H,10H2,(H,23,24,25)
InChIKeyBFTCTMORGHVHCL-UHFFFAOYSA-N
MW340.33 g/mol
LogP3.62
Rot. Bonds5

About 3,4-difluoro-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzamide

3,4-difluoro-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzamide (PubChem CID 113027675) has the molecular formula C18H14F2N4O and a molecular weight of 340.33 g/mol. Its IUPAC name is 3,4-difluoro-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzamide
PubChem CID113027675
Molecular FormulaC18H14F2N4O
Molecular Weight340.33 g/mol
Exact Mass340.11
IUPAC Name3,4-difluoro-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzamide
SMILESO=C(Nc1ccc(NCc2ccccn2)cn1)c1ccc(F)c(F)c1
InChIInChI=1S/C18H14F2N4O/c19-15-6-4-12(9-16(15)20)18(25)24-17-7-5-14(11-23-17)22-10-13-3-1-2-8-21-13/h1-9,11,22H,10H2,(H,23,24,25)
InChIKeyBFTCTMORGHVHCL-UHFFFAOYSA-N
XLogP3.62
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzamide
CID 113027652
3,4-difluoro-N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]benzamide
CID 113027357
3,4-difluoro-N-[5-(furan-2-ylmethylamino)-2-pyridinyl]benzamide
CID 113026285
N-(3,4-difluorophenyl)-5-(pyridin-2-ylmethylamino)pyridine-3-carboxamide
CID 109235200
4-tert-butyl-N-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]benzamide
CID 113012677
N-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113012694
3,4-difluoro-N-[5-(1-phenylethylamino)-2-pyridinyl]benzamide
CID 113026825
4-chloro-N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]benzamide
CID 113041999
2,4-difluoro-N-[4-(pyridin-2-ylmethylamino)phenyl]benzamide
CID 51107830
3-methyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]butanamide
CID 113027627
3,4-difluoro-N-[5-[2-(1H-indol-3-yl)ethylamino]-2-pyridinyl]benzamide
CID 113028912
2-phenoxy-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]acetamide
CID 113027662

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzamide?
The IUPAC name of 3,4-difluoro-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzamide (CID 113027675) is 3,4-difluoro-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzamide is O=C(Nc1ccc(NCc2ccccn2)cn1)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzamide?
The InChIKey is BFTCTMORGHVHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N4O/c19-15-6-4-12(9-16(15)20)18(25)24-17-7-5-14(11-23-17)22-10-13-3-1-2-8-21-13/h1-9,11,22H,10H2,(H,23,24,25).
What are the key properties of 3,4-difluoro-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzamide?
3,4-difluoro-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzamide has a molecular weight of 340.33 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzamide is sourced from PubChem (CID 113027675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).