2-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-1-(3-fluoro-2-pyridinyl)ethanone

C19H17FN4O — CID 58449100

IUPAC2-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-1-(3-fluoro-2-pyridinyl)ethanone
SMILESNc1ncccc1NCc1cccc(CC(=O)c2ncccc2F)c1
InChIInChI=1S/C19H17FN4O/c20-15-6-2-8-22-18(15)17(25)11-13-4-1-5-14(10-13)12-24-16-7-3-9-23-19(16)21/h1-10,24H,11-12H2,(H2,21,23)
InChIKeyNGUUQDAUIYWUME-UHFFFAOYSA-N
MW336.37 g/mol
LogP3.24
Rot. Bonds6

About 2-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-1-(3-fluoro-2-pyridinyl)ethanone

2-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-1-(3-fluoro-2-pyridinyl)ethanone (PubChem CID 58449100) has the molecular formula C19H17FN4O and a molecular weight of 336.37 g/mol. Its IUPAC name is 2-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-1-(3-fluoro-2-pyridinyl)ethanone.

Molecular Properties

Compound Name2-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-1-(3-fluoro-2-pyridinyl)ethanone
PubChem CID58449100
Molecular FormulaC19H17FN4O
Molecular Weight336.37 g/mol
Exact Mass336.14
IUPAC Name2-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-1-(3-fluoro-2-pyridinyl)ethanone
SMILESNc1ncccc1NCc1cccc(CC(=O)c2ncccc2F)c1
InChIInChI=1S/C19H17FN4O/c20-15-6-2-8-22-18(15)17(25)11-13-4-1-5-14(10-13)12-24-16-7-3-9-23-19(16)21/h1-10,24H,11-12H2,(H2,21,23)
InChIKeyNGUUQDAUIYWUME-UHFFFAOYSA-N
XLogP3.24
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-1-(3-methyl-1,2-oxazol-5-yl)ethanone
CID 58448614
2-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-1-(5-bromothiophen-2-yl)ethanone
CID 58448850
2-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-1-quinoxalin-2-ylethanone
CID 58448620
2-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-1-[5-(1H-pyrrol-2-yl)pyrazin-2-yl]ethanone
CID 58448510
2-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-1-(5-prop-2-ynoxypyrazin-2-yl)ethanone
CID 58448651
N-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-3-fluoropyridine-2-carboxamide
CID 70234157
2-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-1-[5-(propan-2-ylideneamino)oxypyrazin-2-yl]ethanone
CID 58448942
2-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-1-quinolin-2-ylethanone
CID 58449174
N-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]formamide
CID 143980472
2-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-1-(5-methylsulfanylpyrazin-2-yl)ethanone
CID 58449335
N-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 70234459
2-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-1-(5-methylfuran-2-yl)ethanone
CID 58448491

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-1-(3-fluoro-2-pyridinyl)ethanone?
The IUPAC name of 2-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-1-(3-fluoro-2-pyridinyl)ethanone (CID 58449100) is 2-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-1-(3-fluoro-2-pyridinyl)ethanone.
What is the SMILES notation for 2-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-1-(3-fluoro-2-pyridinyl)ethanone?
The canonical SMILES for 2-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-1-(3-fluoro-2-pyridinyl)ethanone is Nc1ncccc1NCc1cccc(CC(=O)c2ncccc2F)c1.
What is the InChIKey of 2-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-1-(3-fluoro-2-pyridinyl)ethanone?
The InChIKey is NGUUQDAUIYWUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O/c20-15-6-2-8-22-18(15)17(25)11-13-4-1-5-14(10-13)12-24-16-7-3-9-23-19(16)21/h1-10,24H,11-12H2,(H2,21,23).
What are the key properties of 2-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-1-(3-fluoro-2-pyridinyl)ethanone?
2-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-1-(3-fluoro-2-pyridinyl)ethanone has a molecular weight of 336.37 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-1-(3-fluoro-2-pyridinyl)ethanone is sourced from PubChem (CID 58449100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).