3-[[(3-amino-4-pyridinyl)-methylamino]methyl]-4-fluorobenzamide

C14H15FN4O — CID 61358055

IUPAC3-[[(3-amino-4-pyridinyl)-methylamino]methyl]-4-fluorobenzamide
SMILESCN(Cc1cc(C(N)=O)ccc1F)c1ccncc1N
InChIInChI=1S/C14H15FN4O/c1-19(13-4-5-18-7-12(13)16)8-10-6-9(14(17)20)2-3-11(10)15/h2-7H,8,16H2,1H3,(H2,17,20)
InChIKeyNDXCLDFVXQVALW-UHFFFAOYSA-N
MW274.30 g/mol
LogP1.54
Rot. Bonds4

About 3-[[(3-amino-4-pyridinyl)-methylamino]methyl]-4-fluorobenzamide

3-[[(3-amino-4-pyridinyl)-methylamino]methyl]-4-fluorobenzamide (PubChem CID 61358055) has the molecular formula C14H15FN4O and a molecular weight of 274.30 g/mol. Its IUPAC name is 3-[[(3-amino-4-pyridinyl)-methylamino]methyl]-4-fluorobenzamide.

Molecular Properties

Compound Name3-[[(3-amino-4-pyridinyl)-methylamino]methyl]-4-fluorobenzamide
PubChem CID61358055
Molecular FormulaC14H15FN4O
Molecular Weight274.30 g/mol
Exact Mass274.12
IUPAC Name3-[[(3-amino-4-pyridinyl)-methylamino]methyl]-4-fluorobenzamide
SMILESCN(Cc1cc(C(N)=O)ccc1F)c1ccncc1N
InChIInChI=1S/C14H15FN4O/c1-19(13-4-5-18-7-12(13)16)8-10-6-9(14(17)20)2-3-11(10)15/h2-7H,8,16H2,1H3,(H2,17,20)
InChIKeyNDXCLDFVXQVALW-UHFFFAOYSA-N
XLogP1.54
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-amino-4-pyridinyl)sulfonylmethyl]-4-fluorobenzamide
CID 62113980
4-[(2-aminophenyl)methyl-methylamino]-3-fluorobenzamide
CID 60869436
4-N-[(4-chlorophenyl)methyl]-4-N-methylpyridine-3,4-diamine
CID 61357479
3-amino-4-[(4-chlorophenyl)methyl-methylamino]benzamide
CID 61415166
2-[(3-amino-4-pyridinyl)-methylamino]acetic acid
CID 62253485
3-amino-4-[(5-chloro-2-fluorophenyl)methyl-methylamino]benzoic acid
CID 103046894
4-N-[(2-bromophenyl)methyl]-4-N-methylpyridine-3,4-diamine
CID 61358641
2-[(3-amino-4-pyridinyl)-methylamino]-N-(4-fluorophenyl)acetamide
CID 61360203
1-(3-amino-4-pyridinyl)-1-methylurea
CID 61357275
4-fluoro-3-[(2-methylimidazol-1-yl)methyl]benzamide
CID 63811780
4-fluoro-3-(hydroxymethyl)benzamide
CID 43558815
4-N-methyl-4-N-(pyrimidin-2-ylmethyl)pyridine-3,4-diamine
CID 62698618

Frequently Asked Questions

What is the IUPAC name of 3-[[(3-amino-4-pyridinyl)-methylamino]methyl]-4-fluorobenzamide?
The IUPAC name of 3-[[(3-amino-4-pyridinyl)-methylamino]methyl]-4-fluorobenzamide (CID 61358055) is 3-[[(3-amino-4-pyridinyl)-methylamino]methyl]-4-fluorobenzamide.
What is the SMILES notation for 3-[[(3-amino-4-pyridinyl)-methylamino]methyl]-4-fluorobenzamide?
The canonical SMILES for 3-[[(3-amino-4-pyridinyl)-methylamino]methyl]-4-fluorobenzamide is CN(Cc1cc(C(N)=O)ccc1F)c1ccncc1N.
What is the InChIKey of 3-[[(3-amino-4-pyridinyl)-methylamino]methyl]-4-fluorobenzamide?
The InChIKey is NDXCLDFVXQVALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O/c1-19(13-4-5-18-7-12(13)16)8-10-6-9(14(17)20)2-3-11(10)15/h2-7H,8,16H2,1H3,(H2,17,20).
What are the key properties of 3-[[(3-amino-4-pyridinyl)-methylamino]methyl]-4-fluorobenzamide?
3-[[(3-amino-4-pyridinyl)-methylamino]methyl]-4-fluorobenzamide has a molecular weight of 274.30 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-amino-4-pyridinyl)-methylamino]methyl]-4-fluorobenzamide is sourced from PubChem (CID 61358055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).