N-[4-(2-amino-2-oxoethyl)phenyl]-6-chloropyridine-2-carboxamide

C14H12ClN3O2 — CID 62233473

IUPACN-[4-(2-amino-2-oxoethyl)phenyl]-6-chloropyridine-2-carboxamide
SMILESNC(=O)Cc1ccc(NC(=O)c2cccc(Cl)n2)cc1
InChIInChI=1S/C14H12ClN3O2/c15-12-3-1-2-11(18-12)14(20)17-10-6-4-9(5-7-10)8-13(16)19/h1-7H,8H2,(H2,16,19)(H,17,20)
InChIKeyAAQYIBSTFAITSV-UHFFFAOYSA-N
MW289.72 g/mol
LogP2.02
Rot. Bonds4

About N-[4-(2-amino-2-oxoethyl)phenyl]-6-chloropyridine-2-carboxamide

N-[4-(2-amino-2-oxoethyl)phenyl]-6-chloropyridine-2-carboxamide (PubChem CID 62233473) has the molecular formula C14H12ClN3O2 and a molecular weight of 289.72 g/mol. Its IUPAC name is N-[4-(2-amino-2-oxoethyl)phenyl]-6-chloropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-oxoethyl)phenyl]-6-chloropyridine-2-carboxamide
PubChem CID62233473
Molecular FormulaC14H12ClN3O2
Molecular Weight289.72 g/mol
Exact Mass289.06
IUPAC NameN-[4-(2-amino-2-oxoethyl)phenyl]-6-chloropyridine-2-carboxamide
SMILESNC(=O)Cc1ccc(NC(=O)c2cccc(Cl)n2)cc1
InChIInChI=1S/C14H12ClN3O2/c15-12-3-1-2-11(18-12)14(20)17-10-6-4-9(5-7-10)8-13(16)19/h1-7H,8H2,(H2,16,19)(H,17,20)
InChIKeyAAQYIBSTFAITSV-UHFFFAOYSA-N
XLogP2.02
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 52.02
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-methylpyridine-2-carboxamide
CID 39279397
6-chloro-N-[4-(2-oxo-4-phenylbutyl)phenyl]pyridine-2-carboxamide
CID 167602608
N-[4-(2-amino-2-oxoethyl)phenyl]-3,6-dichloropyridine-2-carboxamide
CID 39280839
N-[3-(carbamoylamino)phenyl]-6-chloropyridine-2-carboxamide
CID 62234924
2-[3-[(6-chloropyridine-2-carbonyl)amino]phenyl]acetic acid
CID 65345876
6-chloro-N-[4-(dimethylcarbamoyl)phenyl]pyridine-2-carboxamide
CID 62234186
6-N-(4-ethylphenyl)-2-N-(4-methylphenyl)pyridine-2,6-dicarboxamide
CID 109100178
2-N,6-N-bis[[4-(2-amino-2-oxoethyl)phenyl]methylideneamino]pyridine-2,6-dicarboxamide
CID 176514703
6-chloro-N-(3-iodophenyl)pyridine-2-carboxamide
CID 55052347
6-N-(4-methylphenyl)-2-N-[(4-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097523
2-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 47248811
N-[4-(2-amino-2-oxoethyl)phenyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide
CID 31861373

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-oxoethyl)phenyl]-6-chloropyridine-2-carboxamide?
The IUPAC name of N-[4-(2-amino-2-oxoethyl)phenyl]-6-chloropyridine-2-carboxamide (CID 62233473) is N-[4-(2-amino-2-oxoethyl)phenyl]-6-chloropyridine-2-carboxamide.
What is the SMILES notation for N-[4-(2-amino-2-oxoethyl)phenyl]-6-chloropyridine-2-carboxamide?
The canonical SMILES for N-[4-(2-amino-2-oxoethyl)phenyl]-6-chloropyridine-2-carboxamide is NC(=O)Cc1ccc(NC(=O)c2cccc(Cl)n2)cc1.
What is the InChIKey of N-[4-(2-amino-2-oxoethyl)phenyl]-6-chloropyridine-2-carboxamide?
The InChIKey is AAQYIBSTFAITSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O2/c15-12-3-1-2-11(18-12)14(20)17-10-6-4-9(5-7-10)8-13(16)19/h1-7H,8H2,(H2,16,19)(H,17,20).
What are the key properties of N-[4-(2-amino-2-oxoethyl)phenyl]-6-chloropyridine-2-carboxamide?
N-[4-(2-amino-2-oxoethyl)phenyl]-6-chloropyridine-2-carboxamide has a molecular weight of 289.72 g/mol, XLogP of 2.02, 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]-6-chloropyridine-2-carboxamide is sourced from PubChem (CID 62233473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).