N-[2-(tert-butylamino)-2-oxoethyl]-2-chloropyridine-3-carboxamide

C12H16ClN3O2 — CID 26456826

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-2-chloropyridine-3-carboxamide
SMILESCC(C)(C)NC(=O)CNC(=O)c1cccnc1Cl
InChIInChI=1S/C12H16ClN3O2/c1-12(2,3)16-9(17)7-15-11(18)8-5-4-6-14-10(8)13/h4-6H,7H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyKVLWRZWLMIXYGA-UHFFFAOYSA-N
MW269.73 g/mol
LogP1.38
Rot. Bonds3

About N-[2-(tert-butylamino)-2-oxoethyl]-2-chloropyridine-3-carboxamide

N-[2-(tert-butylamino)-2-oxoethyl]-2-chloropyridine-3-carboxamide (PubChem CID 26456826) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-2-chloropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-2-chloropyridine-3-carboxamide
PubChem CID26456826
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-2-chloropyridine-3-carboxamide
SMILESCC(C)(C)NC(=O)CNC(=O)c1cccnc1Cl
InChIInChI=1S/C12H16ClN3O2/c1-12(2,3)16-9(17)7-15-11(18)8-5-4-6-14-10(8)13/h4-6H,7H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyKVLWRZWLMIXYGA-UHFFFAOYSA-N
XLogP1.38
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 51.38
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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Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-2-chloropyridine-3-carboxamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-2-chloropyridine-3-carboxamide (CID 26456826) is N-[2-(tert-butylamino)-2-oxoethyl]-2-chloropyridine-3-carboxamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-2-chloropyridine-3-carboxamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-2-chloropyridine-3-carboxamide is CC(C)(C)NC(=O)CNC(=O)c1cccnc1Cl.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-2-chloropyridine-3-carboxamide?
The InChIKey is KVLWRZWLMIXYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2/c1-12(2,3)16-9(17)7-15-11(18)8-5-4-6-14-10(8)13/h4-6H,7H2,1-3H3,(H,15,18)(H,16,17).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-2-chloropyridine-3-carboxamide?
N-[2-(tert-butylamino)-2-oxoethyl]-2-chloropyridine-3-carboxamide has a molecular weight of 269.73 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-2-chloropyridine-3-carboxamide is sourced from PubChem (CID 26456826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).