N-(2-amino-2-oxoethyl)-2-chloro-N-methylpyridine-3-carboxamide

C9H10ClN3O2 — CID 43374214

IUPACN-(2-amino-2-oxoethyl)-2-chloro-N-methylpyridine-3-carboxamide
SMILESCN(CC(N)=O)C(=O)c1cccnc1Cl
InChIInChI=1S/C9H10ClN3O2/c1-13(5-7(11)14)9(15)6-3-2-4-12-8(6)10/h2-4H,5H2,1H3,(H2,11,14)
InChIKeyCYXCZOCRKQJXKK-UHFFFAOYSA-N
MW227.65 g/mol
LogP0.29
Rot. Bonds3

About N-(2-amino-2-oxoethyl)-2-chloro-N-methylpyridine-3-carboxamide

N-(2-amino-2-oxoethyl)-2-chloro-N-methylpyridine-3-carboxamide (PubChem CID 43374214) has the molecular formula C9H10ClN3O2 and a molecular weight of 227.65 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-2-chloro-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-2-chloro-N-methylpyridine-3-carboxamide
PubChem CID43374214
Molecular FormulaC9H10ClN3O2
Molecular Weight227.65 g/mol
Exact Mass227.05
IUPAC NameN-(2-amino-2-oxoethyl)-2-chloro-N-methylpyridine-3-carboxamide
SMILESCN(CC(N)=O)C(=O)c1cccnc1Cl
InChIInChI=1S/C9H10ClN3O2/c1-13(5-7(11)14)9(15)6-3-2-4-12-8(6)10/h2-4H,5H2,1H3,(H2,11,14)
InChIKeyCYXCZOCRKQJXKK-UHFFFAOYSA-N
XLogP0.29
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.65
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Nicotinamide
CID 936
N,N-Diethylnicotinamide
CID 5497
N'-Methylnicotinamide
CID 64950
1-Methylnicotinamide
CID 457
Nicaraven
CID 71234
N-Ethylnicotinamide
CID 78007
3-Carbamyl-1-methylpyridinium Chloride
CID 70495
6-Chloro-N-(2-morpholinoethyl)nicotinamide
CID 1228702
N-(3-chloro-4-fluorophenyl)pyridine-3-carboxamide
CID 771964
2-Chloro-3-pyridinecarboxaldehyde
CID 737607
(2-Chloropyridin-3-yl)(morpholin-4-yl)methanone
CID 2063428
6-Chloronicotinamide
CID 80456

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-2-chloro-N-methylpyridine-3-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-2-chloro-N-methylpyridine-3-carboxamide (CID 43374214) is N-(2-amino-2-oxoethyl)-2-chloro-N-methylpyridine-3-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-2-chloro-N-methylpyridine-3-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-2-chloro-N-methylpyridine-3-carboxamide is CN(CC(N)=O)C(=O)c1cccnc1Cl.
What is the InChIKey of N-(2-amino-2-oxoethyl)-2-chloro-N-methylpyridine-3-carboxamide?
The InChIKey is CYXCZOCRKQJXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O2/c1-13(5-7(11)14)9(15)6-3-2-4-12-8(6)10/h2-4H,5H2,1H3,(H2,11,14).
What are the key properties of N-(2-amino-2-oxoethyl)-2-chloro-N-methylpyridine-3-carboxamide?
N-(2-amino-2-oxoethyl)-2-chloro-N-methylpyridine-3-carboxamide has a molecular weight of 227.65 g/mol, XLogP of 0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-2-chloro-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 43374214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).