N-[2-(3-acetamidoanilino)-2-oxoethyl]-2-chloro-N-methylpyridine-4-carboxamide

C17H17ClN4O3 — CID 47047686

IUPACN-[2-(3-acetamidoanilino)-2-oxoethyl]-2-chloro-N-methylpyridine-4-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)CN(C)C(=O)c2ccnc(Cl)c2)c1
InChIInChI=1S/C17H17ClN4O3/c1-11(23)20-13-4-3-5-14(9-13)21-16(24)10-22(2)17(25)12-6-7-19-15(18)8-12/h3-9H,10H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyOFWYSMRQBCYTRW-UHFFFAOYSA-N
MW360.80 g/mol
LogP2.40
Rot. Bonds5

About N-[2-(3-acetamidoanilino)-2-oxoethyl]-2-chloro-N-methylpyridine-4-carboxamide

N-[2-(3-acetamidoanilino)-2-oxoethyl]-2-chloro-N-methylpyridine-4-carboxamide (PubChem CID 47047686) has the molecular formula C17H17ClN4O3 and a molecular weight of 360.80 g/mol. Its IUPAC name is N-[2-(3-acetamidoanilino)-2-oxoethyl]-2-chloro-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-acetamidoanilino)-2-oxoethyl]-2-chloro-N-methylpyridine-4-carboxamide
PubChem CID47047686
Molecular FormulaC17H17ClN4O3
Molecular Weight360.80 g/mol
Exact Mass360.10
IUPAC NameN-[2-(3-acetamidoanilino)-2-oxoethyl]-2-chloro-N-methylpyridine-4-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)CN(C)C(=O)c2ccnc(Cl)c2)c1
InChIInChI=1S/C17H17ClN4O3/c1-11(23)20-13-4-3-5-14(9-13)21-16(24)10-22(2)17(25)12-6-7-19-15(18)8-12/h3-9H,10H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyOFWYSMRQBCYTRW-UHFFFAOYSA-N
XLogP2.40
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.80
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylpyridine-4-carboxamide
CID 31936113
3-acetamido-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
CID 9441407
N-(2-anilino-2-oxoethyl)-2-bromo-N-methylpyridine-4-carboxamide
CID 103752363
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylbenzamide
CID 7718956
4-chloro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
CID 7719433
N-methyl-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 35553197
2-chloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-4-carboxamide
CID 60707021
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-4-iodo-N-methylbenzamide
CID 31182819
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-3-methoxy-N,4-dimethylbenzamide
CID 18112252
4-bromo-N-[2-(3-chloroanilino)-2-oxoethyl]-3,5-dimethoxy-N-methylbenzamide
CID 38622669
3-amino-N-(2-anilino-2-oxoethyl)-N-methylbenzamide
CID 60944613
N-(2-anilino-2-oxoethyl)-3-iodo-N-methylbenzamide
CID 55637665

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-acetamidoanilino)-2-oxoethyl]-2-chloro-N-methylpyridine-4-carboxamide?
The IUPAC name of N-[2-(3-acetamidoanilino)-2-oxoethyl]-2-chloro-N-methylpyridine-4-carboxamide (CID 47047686) is N-[2-(3-acetamidoanilino)-2-oxoethyl]-2-chloro-N-methylpyridine-4-carboxamide.
What is the SMILES notation for N-[2-(3-acetamidoanilino)-2-oxoethyl]-2-chloro-N-methylpyridine-4-carboxamide?
The canonical SMILES for N-[2-(3-acetamidoanilino)-2-oxoethyl]-2-chloro-N-methylpyridine-4-carboxamide is CC(=O)Nc1cccc(NC(=O)CN(C)C(=O)c2ccnc(Cl)c2)c1.
What is the InChIKey of N-[2-(3-acetamidoanilino)-2-oxoethyl]-2-chloro-N-methylpyridine-4-carboxamide?
The InChIKey is OFWYSMRQBCYTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O3/c1-11(23)20-13-4-3-5-14(9-13)21-16(24)10-22(2)17(25)12-6-7-19-15(18)8-12/h3-9H,10H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N-[2-(3-acetamidoanilino)-2-oxoethyl]-2-chloro-N-methylpyridine-4-carboxamide?
N-[2-(3-acetamidoanilino)-2-oxoethyl]-2-chloro-N-methylpyridine-4-carboxamide has a molecular weight of 360.80 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-acetamidoanilino)-2-oxoethyl]-2-chloro-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 47047686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).