N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-chloro-6-ethylpyridine-4-carboxamide

C13H18ClN3O2 — CID 106276058

IUPACN-(3-amino-2,2-dimethyl-3-oxopropyl)-2-chloro-6-ethylpyridine-4-carboxamide
SMILESCCc1cc(C(=O)NCC(C)(C)C(N)=O)cc(Cl)n1
InChIInChI=1S/C13H18ClN3O2/c1-4-9-5-8(6-10(14)17-9)11(18)16-7-13(2,3)12(15)19/h5-6H,4,7H2,1-3H3,(H2,15,19)(H,16,18)
InChIKeyQXGPDNJRMUWOCH-UHFFFAOYSA-N
MW283.76 g/mol
LogP1.54
Rot. Bonds5

About N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-chloro-6-ethylpyridine-4-carboxamide

N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-chloro-6-ethylpyridine-4-carboxamide (PubChem CID 106276058) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-chloro-6-ethylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethyl-3-oxopropyl)-2-chloro-6-ethylpyridine-4-carboxamide
PubChem CID106276058
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC NameN-(3-amino-2,2-dimethyl-3-oxopropyl)-2-chloro-6-ethylpyridine-4-carboxamide
SMILESCCc1cc(C(=O)NCC(C)(C)C(N)=O)cc(Cl)n1
InChIInChI=1S/C13H18ClN3O2/c1-4-9-5-8(6-10(14)17-9)11(18)16-7-13(2,3)12(15)19/h5-6H,4,7H2,1-3H3,(H2,15,19)(H,16,18)
InChIKeyQXGPDNJRMUWOCH-UHFFFAOYSA-N
XLogP1.54
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 51.54
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-(5-amino-5-oxopentyl)-2-chloro-6-ethylpyridine-4-carboxamide
CID 106235383
2-chloro-6-ethyl-N-[(2-methylpropan-2-yl)oxy]pyridine-4-carboxamide
CID 107856458
2-chloro-6-ethyl-N-(3-methylpentan-3-yl)pyridine-4-carboxamide
CID 114174171
2-chloro-6-ethyl-N-[(2-hydroxyphenyl)methyl]pyridine-4-carboxamide
CID 114331667
2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-6-propan-2-ylpyridine-4-carboxamide
CID 106280078
2-chloro-N-(2-ethoxypropyl)-6-ethylpyridine-4-carboxamide
CID 113477234
N-(3-amino-2,2-dimethyl-3-oxopropyl)-5,6-dichloropyridine-3-carboxamide
CID 113226390
2-chloro-6-ethyl-N-[(1-propan-2-ylcyclopropyl)methyl]pyridine-4-carboxamide
CID 114113553
2-chloro-6-ethyl-N-[2-(methylsulfamoyl)ethyl]pyridine-4-carboxamide
CID 114175102
2-chloro-N-(2,2-dimethylbutyl)-6-propan-2-ylpyridine-4-carboxamide
CID 103461104
2-chloro-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-6-hydrazinylpyridine-4-carboxamide
CID 114167737
N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-hydrazinyl-6-propan-2-ylpyridine-4-carboxamide
CID 106280242

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-chloro-6-ethylpyridine-4-carboxamide?
The IUPAC name of N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-chloro-6-ethylpyridine-4-carboxamide (CID 106276058) is N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-chloro-6-ethylpyridine-4-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-chloro-6-ethylpyridine-4-carboxamide?
The canonical SMILES for N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-chloro-6-ethylpyridine-4-carboxamide is CCc1cc(C(=O)NCC(C)(C)C(N)=O)cc(Cl)n1.
What is the InChIKey of N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-chloro-6-ethylpyridine-4-carboxamide?
The InChIKey is QXGPDNJRMUWOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c1-4-9-5-8(6-10(14)17-9)11(18)16-7-13(2,3)12(15)19/h5-6H,4,7H2,1-3H3,(H2,15,19)(H,16,18).
What are the key properties of N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-chloro-6-ethylpyridine-4-carboxamide?
N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-chloro-6-ethylpyridine-4-carboxamide has a molecular weight of 283.76 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-chloro-6-ethylpyridine-4-carboxamide is sourced from PubChem (CID 106276058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).