2-(5-amino-2-pyridinyl)-N-[1-(2,5-difluorophenyl)ethyl]-N-methylacetamide;hydrochloride

C16H18ClF2N3O — CID 120621646

IUPAC2-(5-amino-2-pyridinyl)-N-[1-(2,5-difluorophenyl)ethyl]-N-methylacetamide;hydrochloride
SMILESCC(c1cc(F)ccc1F)N(C)C(=O)Cc1ccc(N)cn1.Cl
InChIInChI=1S/C16H17F2N3O.ClH/c1-10(14-7-11(17)3-6-15(14)18)21(2)16(22)8-13-5-4-12(19)9-20-13;/h3-7,9-10H,8,19H2,1-2H3;1H
InChIKeyZAXHHRICFXHMRR-UHFFFAOYSA-N
MW341.79 g/mol
LogP3.13
Rot. Bonds4

About 2-(5-amino-2-pyridinyl)-N-[1-(2,5-difluorophenyl)ethyl]-N-methylacetamide;hydrochloride

2-(5-amino-2-pyridinyl)-N-[1-(2,5-difluorophenyl)ethyl]-N-methylacetamide;hydrochloride (PubChem CID 120621646) has the molecular formula C16H18ClF2N3O and a molecular weight of 341.79 g/mol. Its IUPAC name is 2-(5-amino-2-pyridinyl)-N-[1-(2,5-difluorophenyl)ethyl]-N-methylacetamide;hydrochloride.

Molecular Properties

Compound Name2-(5-amino-2-pyridinyl)-N-[1-(2,5-difluorophenyl)ethyl]-N-methylacetamide;hydrochloride
PubChem CID120621646
Molecular FormulaC16H18ClF2N3O
Molecular Weight341.79 g/mol
Exact Mass341.11
IUPAC Name2-(5-amino-2-pyridinyl)-N-[1-(2,5-difluorophenyl)ethyl]-N-methylacetamide;hydrochloride
SMILESCC(c1cc(F)ccc1F)N(C)C(=O)Cc1ccc(N)cn1.Cl
InChIInChI=1S/C16H17F2N3O.ClH/c1-10(14-7-11(17)3-6-15(14)18)21(2)16(22)8-13-5-4-12(19)9-20-13;/h3-7,9-10H,8,19H2,1-2H3;1H
InChIKeyZAXHHRICFXHMRR-UHFFFAOYSA-N
XLogP3.13
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.79
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-amino-2-pyridinyl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
CID 107337947
2-(5-amino-2-pyridinyl)-N-methyl-N-[1-(4-methylphenyl)ethyl]acetamide
CID 107337980
3-[1-(2,5-difluorophenyl)ethyl-methylamino]-3-oxopropanoic acid
CID 55049111
N-[1-(2,5-difluorophenyl)ethyl]-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 86926512
2-(5-amino-2-pyridinyl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 107337647
N-[1-(2,5-difluorophenyl)ethyl]-N-methylhexanamide
CID 86925812
ethyl 2-[[(1R)-1-(2,5-difluorophenyl)ethyl]-methylamino]acetate
CID 94417360
N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-2-piperidin-4-ylacetamide;hydrochloride
CID 119717502
2-(5-amino-2-pyridinyl)-N-ethyl-N-propan-2-ylacetamide;hydrochloride
CID 120620159
2-(1-aminocyclobutyl)-N-[1-(2,5-difluorophenyl)ethyl]-N-methylacetamide
CID 79853913
2-(5-amino-2-pyridinyl)-N,N-diethylacetamide;hydrochloride
CID 120616165
2-(5-amino-2-pyridinyl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide;hydrochloride
CID 120617349

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-pyridinyl)-N-[1-(2,5-difluorophenyl)ethyl]-N-methylacetamide;hydrochloride?
The IUPAC name of 2-(5-amino-2-pyridinyl)-N-[1-(2,5-difluorophenyl)ethyl]-N-methylacetamide;hydrochloride (CID 120621646) is 2-(5-amino-2-pyridinyl)-N-[1-(2,5-difluorophenyl)ethyl]-N-methylacetamide;hydrochloride.
What is the SMILES notation for 2-(5-amino-2-pyridinyl)-N-[1-(2,5-difluorophenyl)ethyl]-N-methylacetamide;hydrochloride?
The canonical SMILES for 2-(5-amino-2-pyridinyl)-N-[1-(2,5-difluorophenyl)ethyl]-N-methylacetamide;hydrochloride is CC(c1cc(F)ccc1F)N(C)C(=O)Cc1ccc(N)cn1.Cl.
What is the InChIKey of 2-(5-amino-2-pyridinyl)-N-[1-(2,5-difluorophenyl)ethyl]-N-methylacetamide;hydrochloride?
The InChIKey is ZAXHHRICFXHMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O.ClH/c1-10(14-7-11(17)3-6-15(14)18)21(2)16(22)8-13-5-4-12(19)9-20-13;/h3-7,9-10H,8,19H2,1-2H3;1H.
What are the key properties of 2-(5-amino-2-pyridinyl)-N-[1-(2,5-difluorophenyl)ethyl]-N-methylacetamide;hydrochloride?
2-(5-amino-2-pyridinyl)-N-[1-(2,5-difluorophenyl)ethyl]-N-methylacetamide;hydrochloride has a molecular weight of 341.79 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-pyridinyl)-N-[1-(2,5-difluorophenyl)ethyl]-N-methylacetamide;hydrochloride is sourced from PubChem (CID 120621646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).