N-[2-amino-6-(2,3,5,6-tetradeuterio-4-fluoro-N-methylanilino)-3-pyridinyl]acetamide;hydrochloride

C14H16ClFN4O — CID 131698897

IUPACN-[2-amino-6-(2,3,5,6-tetradeuterio-4-fluoro-N-methylanilino)-3-pyridinyl]acetamide;hydrochloride
SMILESCl.[2H]c1c([2H])c(N(C)c2ccc(NC(C)=O)c(N)n2)c([2H])c([2H])c1F
InChIInChI=1S/C14H15FN4O.ClH/c1-9(20)17-12-7-8-13(18-14(12)16)19(2)11-5-3-10(15)4-6-11;/h3-8H,1-2H3,(H2,16,18)(H,17,20);1H/i3D,4D,5D,6D;
InChIKeyNSLZUXJLPNIKFV-HGSONKNXSA-N
MW314.78 g/mol
LogP2.95
Rot. Bonds3

About N-[2-amino-6-(2,3,5,6-tetradeuterio-4-fluoro-N-methylanilino)-3-pyridinyl]acetamide;hydrochloride

N-[2-amino-6-(2,3,5,6-tetradeuterio-4-fluoro-N-methylanilino)-3-pyridinyl]acetamide;hydrochloride (PubChem CID 131698897) has the molecular formula C14H16ClFN4O and a molecular weight of 314.78 g/mol. Its IUPAC name is N-[2-amino-6-(2,3,5,6-tetradeuterio-4-fluoro-N-methylanilino)-3-pyridinyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-amino-6-(2,3,5,6-tetradeuterio-4-fluoro-N-methylanilino)-3-pyridinyl]acetamide;hydrochloride
PubChem CID131698897
Molecular FormulaC14H16ClFN4O
Molecular Weight314.78 g/mol
Exact Mass314.12
IUPAC NameN-[2-amino-6-(2,3,5,6-tetradeuterio-4-fluoro-N-methylanilino)-3-pyridinyl]acetamide;hydrochloride
SMILESCl.[2H]c1c([2H])c(N(C)c2ccc(NC(C)=O)c(N)n2)c([2H])c([2H])c1F
InChIInChI=1S/C14H15FN4O.ClH/c1-9(20)17-12-7-8-13(18-14(12)16)19(2)11-5-3-10(15)4-6-11;/h3-8H,1-2H3,(H2,16,18)(H,17,20);1H/i3D,4D,5D,6D;
InChIKeyNSLZUXJLPNIKFV-HGSONKNXSA-N
XLogP2.95
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.78
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-amino-6-(2,3,5,6-tetradeuterio-4-fluoro-N-methylanilino)-3-pyridinyl]acetamide;hydrochloride with MolForge

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Launch Full Analysis

Related Compounds

ethyl N-[2-amino-6-(4-fluoro-N-methylanilino)-3-pyridinyl]carbamate
CID 66509094
N-(2-amino-4-fluorophenyl)acetamide;ethane
CID 178102337
N-(3-amino-2-fluorophenyl)acetamide
CID 23022555
N-[2-amino-4-(trifluoromethoxy)phenyl]acetamide
CID 14836859
methyl 2-acetamido-5-fluorobenzoate
CID 60786102
N-(4-chloro-2-fluorophenyl)acetamide;hydrochloride
CID 142696618
N-(4-acetamido-3-aminophenyl)acetamide;hydrochloride
CID 17385562
N-(2,3,6-trifluoro-4-pyridinyl)acetamide
CID 11229252
1-(4-aminophenyl)-3-(2,4-difluorophenyl)-1-methylurea
CID 43288470
ethyl N-[2-amino-6-[(4-fluorophenyl)methyl]-3-pyridinyl]carbamate
CID 141275396
N-[5-[(5-amino-2-pyridinyl)-methylamino]-2-fluorophenyl]-2,2,2-trifluoroacetamide
CID 86646056
N-[2-methyl-6-(1-methylcyclopropyl)oxy-3-pyridinyl]acetamide
CID 121476653

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-6-(2,3,5,6-tetradeuterio-4-fluoro-N-methylanilino)-3-pyridinyl]acetamide;hydrochloride?
The IUPAC name of N-[2-amino-6-(2,3,5,6-tetradeuterio-4-fluoro-N-methylanilino)-3-pyridinyl]acetamide;hydrochloride (CID 131698897) is N-[2-amino-6-(2,3,5,6-tetradeuterio-4-fluoro-N-methylanilino)-3-pyridinyl]acetamide;hydrochloride.
What is the SMILES notation for N-[2-amino-6-(2,3,5,6-tetradeuterio-4-fluoro-N-methylanilino)-3-pyridinyl]acetamide;hydrochloride?
The canonical SMILES for N-[2-amino-6-(2,3,5,6-tetradeuterio-4-fluoro-N-methylanilino)-3-pyridinyl]acetamide;hydrochloride is Cl.[2H]c1c([2H])c(N(C)c2ccc(NC(C)=O)c(N)n2)c([2H])c([2H])c1F.
What is the InChIKey of N-[2-amino-6-(2,3,5,6-tetradeuterio-4-fluoro-N-methylanilino)-3-pyridinyl]acetamide;hydrochloride?
The InChIKey is NSLZUXJLPNIKFV-HGSONKNXSA-N. The full InChI is InChI=1S/C14H15FN4O.ClH/c1-9(20)17-12-7-8-13(18-14(12)16)19(2)11-5-3-10(15)4-6-11;/h3-8H,1-2H3,(H2,16,18)(H,17,20);1H/i3D,4D,5D,6D;.
What are the key properties of N-[2-amino-6-(2,3,5,6-tetradeuterio-4-fluoro-N-methylanilino)-3-pyridinyl]acetamide;hydrochloride?
N-[2-amino-6-(2,3,5,6-tetradeuterio-4-fluoro-N-methylanilino)-3-pyridinyl]acetamide;hydrochloride has a molecular weight of 314.78 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-6-(2,3,5,6-tetradeuterio-4-fluoro-N-methylanilino)-3-pyridinyl]acetamide;hydrochloride is sourced from PubChem (CID 131698897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).