4-amino-3,5-dichloro-N-(1-methyl-6-oxo-3-pyridinyl)benzamide

C13H11Cl2N3O2 — CID 82832923

IUPAC4-amino-3,5-dichloro-N-(1-methyl-6-oxo-3-pyridinyl)benzamide
SMILESCn1cc(NC(=O)c2cc(Cl)c(N)c(Cl)c2)ccc1=O
InChIInChI=1S/C13H11Cl2N3O2/c1-18-6-8(2-3-11(18)19)17-13(20)7-4-9(14)12(16)10(15)5-7/h2-6H,16H2,1H3,(H,17,20)
InChIKeyKTMDJYHRPPPBAK-UHFFFAOYSA-N
MW312.16 g/mol
LogP2.53
Rot. Bonds2

About 4-amino-3,5-dichloro-N-(1-methyl-6-oxo-3-pyridinyl)benzamide

4-amino-3,5-dichloro-N-(1-methyl-6-oxo-3-pyridinyl)benzamide (PubChem CID 82832923) has the molecular formula C13H11Cl2N3O2 and a molecular weight of 312.16 g/mol. Its IUPAC name is 4-amino-3,5-dichloro-N-(1-methyl-6-oxo-3-pyridinyl)benzamide.

Molecular Properties

Compound Name4-amino-3,5-dichloro-N-(1-methyl-6-oxo-3-pyridinyl)benzamide
PubChem CID82832923
Molecular FormulaC13H11Cl2N3O2
Molecular Weight312.16 g/mol
Exact Mass311.02
IUPAC Name4-amino-3,5-dichloro-N-(1-methyl-6-oxo-3-pyridinyl)benzamide
SMILESCn1cc(NC(=O)c2cc(Cl)c(N)c(Cl)c2)ccc1=O
InChIInChI=1S/C13H11Cl2N3O2/c1-18-6-8(2-3-11(18)19)17-13(20)7-4-9(14)12(16)10(15)5-7/h2-6H,16H2,1H3,(H,17,20)
InChIKeyKTMDJYHRPPPBAK-UHFFFAOYSA-N
XLogP2.53
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.16
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-bromo-3-chloro-N-(1-methyl-6-oxo-3-pyridinyl)benzamide
CID 80973979
2,4-dichloro-N-(1-methyl-6-oxo-3-pyridinyl)benzamide
CID 110725053
4-methyl-N-(1-methyl-6-oxo-3-pyridinyl)benzamide
CID 47341998
4-amino-3,5-dichloro-N-(4-hydroxyphenyl)benzamide
CID 82832564
4-amino-3,5-dichloro-N-(4-iodophenyl)benzamide
CID 82833125
3-iodo-N-(1-methyl-6-oxo-3-pyridinyl)benzamide
CID 61151450
2,5-dichloro-N-(1-methyl-6-oxo-3-pyridinyl)pyridine-4-carboxamide
CID 114917371
3,5-diamino-N-(6-oxo-1-propyl-3-pyridinyl)benzamide
CID 61103566
6-chloro-N-(1-methyl-6-oxo-3-pyridinyl)pyridine-2-carboxamide
CID 62234899
N-(4-amino-3,5-dichlorophenyl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 47111526
6-chloro-N-(1-methyl-6-oxo-3-pyridinyl)pyrazine-2-carboxamide
CID 103187156
5-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-1-methylpyrrole-3-carboxamide
CID 146323461

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-dichloro-N-(1-methyl-6-oxo-3-pyridinyl)benzamide?
The IUPAC name of 4-amino-3,5-dichloro-N-(1-methyl-6-oxo-3-pyridinyl)benzamide (CID 82832923) is 4-amino-3,5-dichloro-N-(1-methyl-6-oxo-3-pyridinyl)benzamide.
What is the SMILES notation for 4-amino-3,5-dichloro-N-(1-methyl-6-oxo-3-pyridinyl)benzamide?
The canonical SMILES for 4-amino-3,5-dichloro-N-(1-methyl-6-oxo-3-pyridinyl)benzamide is Cn1cc(NC(=O)c2cc(Cl)c(N)c(Cl)c2)ccc1=O.
What is the InChIKey of 4-amino-3,5-dichloro-N-(1-methyl-6-oxo-3-pyridinyl)benzamide?
The InChIKey is KTMDJYHRPPPBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3O2/c1-18-6-8(2-3-11(18)19)17-13(20)7-4-9(14)12(16)10(15)5-7/h2-6H,16H2,1H3,(H,17,20).
What are the key properties of 4-amino-3,5-dichloro-N-(1-methyl-6-oxo-3-pyridinyl)benzamide?
4-amino-3,5-dichloro-N-(1-methyl-6-oxo-3-pyridinyl)benzamide has a molecular weight of 312.16 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5-dichloro-N-(1-methyl-6-oxo-3-pyridinyl)benzamide is sourced from PubChem (CID 82832923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).