N-(3-chloro-4-methylphenyl)-N-[4-(oxidoamino)-2-pyridinyl]acetamide

C14H13ClN3O2- — CID 169022993

IUPACN-(3-chloro-4-methylphenyl)-N-[4-(oxidoamino)-2-pyridinyl]acetamide
SMILESCC(=O)N(c1ccc(C)c(Cl)c1)c1cc(N[O-])ccn1
InChIInChI=1S/C14H13ClN3O2/c1-9-3-4-12(8-13(9)15)18(10(2)19)14-7-11(17-20)5-6-16-14/h3-8H,1-2H3,(H-,16,17,20)/q-1
InChIKeyCCQKXTYRIYOEET-UHFFFAOYSA-N
MW290.73 g/mol
LogP3.64
Rot. Bonds3

About N-(3-chloro-4-methylphenyl)-N-[4-(oxidoamino)-2-pyridinyl]acetamide

N-(3-chloro-4-methylphenyl)-N-[4-(oxidoamino)-2-pyridinyl]acetamide (PubChem CID 169022993) has the molecular formula C14H13ClN3O2- and a molecular weight of 290.73 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-N-[4-(oxidoamino)-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-N-[4-(oxidoamino)-2-pyridinyl]acetamide
PubChem CID169022993
Molecular FormulaC14H13ClN3O2-
Molecular Weight290.73 g/mol
Exact Mass290.07
IUPAC NameN-(3-chloro-4-methylphenyl)-N-[4-(oxidoamino)-2-pyridinyl]acetamide
SMILESCC(=O)N(c1ccc(C)c(Cl)c1)c1cc(N[O-])ccn1
InChIInChI=1S/C14H13ClN3O2/c1-9-3-4-12(8-13(9)15)18(10(2)19)14-7-11(17-20)5-6-16-14/h3-8H,1-2H3,(H-,16,17,20)/q-1
InChIKeyCCQKXTYRIYOEET-UHFFFAOYSA-N
XLogP3.64
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.73
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-chlorophenyl)-N-[4-(oxidoamino)-2-pyridinyl]acetamide
CID 169022950
N-(3-chloro-4-methylphenyl)-N-(4-nitroso-2-pyridinyl)acetamide
CID 170189596
N-(1,2-benzoxazol-6-yl)-N-[4-(oxidoamino)-2-pyridinyl]acetamide
CID 162746558
N-imidazo[1,2-a]pyridin-7-yl-N-[4-(oxidoamino)-2-pyridinyl]acetamide
CID 162746889
N-(3-chlorophenyl)-N-[4-(hydroxyamino)-2-pyridinyl]acetamide
CID 166927724
N-[2-(N-acetyl-3,4-difluoroanilino)-4-pyridinyl]-2-(2-chloro-4,6-dimethylphenyl)acetamide
CID 162428331
N-[2-fluoro-4-(trifluoromethyl)phenyl]-N-[4-(oxidoamino)-2-pyridinyl]acetamide
CID 169022925
N-isoquinolin-6-yl-N-[4-(methylamino)-2-pyridinyl]acetamide
CID 162746574
N-[2-(N-acetyl-3,4-difluoroanilino)-4-pyridinyl]-2-(2,6-dichloro-4-ethylphenyl)acetamide
CID 162428154
N-(4-fluoro-3-methoxyphenyl)-N-[4-(hydroxyamino)-2-pyridinyl]acetamide
CID 170189482
N-[2-[acetyl(pyridin-4-yl)amino]-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide
CID 162746510
N-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide
CID 162746745

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-N-[4-(oxidoamino)-2-pyridinyl]acetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-N-[4-(oxidoamino)-2-pyridinyl]acetamide (CID 169022993) is N-(3-chloro-4-methylphenyl)-N-[4-(oxidoamino)-2-pyridinyl]acetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-N-[4-(oxidoamino)-2-pyridinyl]acetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-N-[4-(oxidoamino)-2-pyridinyl]acetamide is CC(=O)N(c1ccc(C)c(Cl)c1)c1cc(N[O-])ccn1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-N-[4-(oxidoamino)-2-pyridinyl]acetamide?
The InChIKey is CCQKXTYRIYOEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN3O2/c1-9-3-4-12(8-13(9)15)18(10(2)19)14-7-11(17-20)5-6-16-14/h3-8H,1-2H3,(H-,16,17,20)/q-1.
What are the key properties of N-(3-chloro-4-methylphenyl)-N-[4-(oxidoamino)-2-pyridinyl]acetamide?
N-(3-chloro-4-methylphenyl)-N-[4-(oxidoamino)-2-pyridinyl]acetamide has a molecular weight of 290.73 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-N-[4-(oxidoamino)-2-pyridinyl]acetamide is sourced from PubChem (CID 169022993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).