N-[4-(2-amino-2-oxoethyl)phenyl]-3,6-dichloropyridine-2-carboxamide

C14H11Cl2N3O2 — CID 39280839

IUPACN-[4-(2-amino-2-oxoethyl)phenyl]-3,6-dichloropyridine-2-carboxamide
SMILESNC(=O)Cc1ccc(NC(=O)c2nc(Cl)ccc2Cl)cc1
InChIInChI=1S/C14H11Cl2N3O2/c15-10-5-6-11(16)19-13(10)14(21)18-9-3-1-8(2-4-9)7-12(17)20/h1-6H,7H2,(H2,17,20)(H,18,21)
InChIKeyDFPCCDWOTAEXAM-UHFFFAOYSA-N
MW324.17 g/mol
LogP2.67
Rot. Bonds4

About N-[4-(2-amino-2-oxoethyl)phenyl]-3,6-dichloropyridine-2-carboxamide

N-[4-(2-amino-2-oxoethyl)phenyl]-3,6-dichloropyridine-2-carboxamide (PubChem CID 39280839) has the molecular formula C14H11Cl2N3O2 and a molecular weight of 324.17 g/mol. Its IUPAC name is N-[4-(2-amino-2-oxoethyl)phenyl]-3,6-dichloropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-oxoethyl)phenyl]-3,6-dichloropyridine-2-carboxamide
PubChem CID39280839
Molecular FormulaC14H11Cl2N3O2
Molecular Weight324.17 g/mol
Exact Mass323.02
IUPAC NameN-[4-(2-amino-2-oxoethyl)phenyl]-3,6-dichloropyridine-2-carboxamide
SMILESNC(=O)Cc1ccc(NC(=O)c2nc(Cl)ccc2Cl)cc1
InChIInChI=1S/C14H11Cl2N3O2/c15-10-5-6-11(16)19-13(10)14(21)18-9-3-1-8(2-4-9)7-12(17)20/h1-6H,7H2,(H2,17,20)(H,18,21)
InChIKeyDFPCCDWOTAEXAM-UHFFFAOYSA-N
XLogP2.67
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.17
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[4-(2-amino-2-oxoethyl)phenyl]-6-chloropyridine-2-carboxamide
CID 62233473
4-[(3,6-dichloropyridine-2-carbonyl)amino]benzoic acid
CID 45426688
3,6-dichloro-N-(4-sulfamoylphenyl)pyridine-2-carboxamide
CID 26718791
3,6-dichloro-N-(6-chloro-3-pyridinyl)pyridine-2-carboxamide
CID 78929855
3,6-dichloropyridine-2-carbohydrazide
CID 45278328
6-amino-3-chloro-N-(4-methylphenyl)pyridine-2-carboxamide
CID 55042017
3,6-dichloro-N-naphthalen-2-ylpyridine-2-carboxamide
CID 26719883
N-[4-(2-amino-2-oxoethyl)phenyl]-6-methylpyridine-2-carboxamide
CID 39279397
3,6-dichloro-N-[3-chloro-4-(dimethylamino)phenyl]pyridine-2-carboxamide
CID 60912008
3,6-dichloro-N-(3-hydroxyphenyl)pyridine-2-carboxamide
CID 60692218
3-chloro-N-(4-ethylphenyl)-6-(methylamino)pyridine-2-carboxamide
CID 62167458
N-[4-(2-amino-2-oxoethyl)phenyl]-4-bromo-3-chlorobenzamide
CID 80973483

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-oxoethyl)phenyl]-3,6-dichloropyridine-2-carboxamide?
The IUPAC name of N-[4-(2-amino-2-oxoethyl)phenyl]-3,6-dichloropyridine-2-carboxamide (CID 39280839) is N-[4-(2-amino-2-oxoethyl)phenyl]-3,6-dichloropyridine-2-carboxamide.
What is the SMILES notation for N-[4-(2-amino-2-oxoethyl)phenyl]-3,6-dichloropyridine-2-carboxamide?
The canonical SMILES for N-[4-(2-amino-2-oxoethyl)phenyl]-3,6-dichloropyridine-2-carboxamide is NC(=O)Cc1ccc(NC(=O)c2nc(Cl)ccc2Cl)cc1.
What is the InChIKey of N-[4-(2-amino-2-oxoethyl)phenyl]-3,6-dichloropyridine-2-carboxamide?
The InChIKey is DFPCCDWOTAEXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3O2/c15-10-5-6-11(16)19-13(10)14(21)18-9-3-1-8(2-4-9)7-12(17)20/h1-6H,7H2,(H2,17,20)(H,18,21).
What are the key properties of N-[4-(2-amino-2-oxoethyl)phenyl]-3,6-dichloropyridine-2-carboxamide?
N-[4-(2-amino-2-oxoethyl)phenyl]-3,6-dichloropyridine-2-carboxamide has a molecular weight of 324.17 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-oxoethyl)phenyl]-3,6-dichloropyridine-2-carboxamide is sourced from PubChem (CID 39280839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).