2-[(3-amino-4-pyridinyl)-methylamino]-N-(4-fluorophenyl)acetamide

C14H15FN4O — CID 61360203

IUPAC2-[(3-amino-4-pyridinyl)-methylamino]-N-(4-fluorophenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(F)cc1)c1ccncc1N
InChIInChI=1S/C14H15FN4O/c1-19(13-6-7-17-8-12(13)16)9-14(20)18-11-4-2-10(15)3-5-11/h2-8H,9,16H2,1H3,(H,18,20)
InChIKeyDZZMZVROZUEAKW-UHFFFAOYSA-N
MW274.30 g/mol
LogP1.88
Rot. Bonds4

About 2-[(3-amino-4-pyridinyl)-methylamino]-N-(4-fluorophenyl)acetamide

2-[(3-amino-4-pyridinyl)-methylamino]-N-(4-fluorophenyl)acetamide (PubChem CID 61360203) has the molecular formula C14H15FN4O and a molecular weight of 274.30 g/mol. Its IUPAC name is 2-[(3-amino-4-pyridinyl)-methylamino]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(3-amino-4-pyridinyl)-methylamino]-N-(4-fluorophenyl)acetamide
PubChem CID61360203
Molecular FormulaC14H15FN4O
Molecular Weight274.30 g/mol
Exact Mass274.12
IUPAC Name2-[(3-amino-4-pyridinyl)-methylamino]-N-(4-fluorophenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(F)cc1)c1ccncc1N
InChIInChI=1S/C14H15FN4O/c1-19(13-6-7-17-8-12(13)16)9-14(20)18-11-4-2-10(15)3-5-11/h2-8H,9,16H2,1H3,(H,18,20)
InChIKeyDZZMZVROZUEAKW-UHFFFAOYSA-N
XLogP1.88
TPSA71.25 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 ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-amino-5-chloro-N-methylanilino)-N-(4-fluorophenyl)acetamide
CID 107466274
2-[(3-amino-4-pyridinyl)-methylamino]-N-(cyanomethyl)acetamide
CID 61357286
2-[(3-amino-4-pyridinyl)-methylamino]-N-cycloheptylacetamide
CID 62575287
2-(3-amino-N-methylanilino)-N-(4-fluorophenyl)acetamide
CID 61297875
2-(4-fluoro-N-methyl-2-nitroanilino)-N-(4-fluorophenyl)acetamide
CID 9183880
2-[dimethylsulfamoyl(methyl)amino]-N-(4-fluorophenyl)acetamide
CID 35329297
3-[[(3-amino-4-pyridinyl)-methylamino]methyl]-4-fluorobenzamide
CID 61358055
2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-N-phenylacetamide
CID 2608827
N-(3-amino-4-methylphenyl)-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
CID 43563094
N-(4-fluorophenyl)-2-pyridin-4-ylacetamide
CID 110697317
2-[(3-amino-4-pyridinyl)-methylamino]-N-cyclopropyl-N-ethylacetamide
CID 54957334
2-[cyclopropyl(methyl)amino]-N-(4-fluorophenyl)acetamide
CID 47166447

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-4-pyridinyl)-methylamino]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[(3-amino-4-pyridinyl)-methylamino]-N-(4-fluorophenyl)acetamide (CID 61360203) is 2-[(3-amino-4-pyridinyl)-methylamino]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(3-amino-4-pyridinyl)-methylamino]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[(3-amino-4-pyridinyl)-methylamino]-N-(4-fluorophenyl)acetamide is CN(CC(=O)Nc1ccc(F)cc1)c1ccncc1N.
What is the InChIKey of 2-[(3-amino-4-pyridinyl)-methylamino]-N-(4-fluorophenyl)acetamide?
The InChIKey is DZZMZVROZUEAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O/c1-19(13-6-7-17-8-12(13)16)9-14(20)18-11-4-2-10(15)3-5-11/h2-8H,9,16H2,1H3,(H,18,20).
What are the key properties of 2-[(3-amino-4-pyridinyl)-methylamino]-N-(4-fluorophenyl)acetamide?
2-[(3-amino-4-pyridinyl)-methylamino]-N-(4-fluorophenyl)acetamide has a molecular weight of 274.30 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-4-pyridinyl)-methylamino]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 61360203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).