N-tert-butyl-2-[(3-chloro-2-pyridinyl)amino]acetamide

C11H16ClN3O — CID 115279391

IUPACN-tert-butyl-2-[(3-chloro-2-pyridinyl)amino]acetamide
SMILESCC(C)(C)NC(=O)CNc1ncccc1Cl
InChIInChI=1S/C11H16ClN3O/c1-11(2,3)15-9(16)7-14-10-8(12)5-4-6-13-10/h4-6H,7H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyPSPWNNDFTQQLJW-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.06
Rot. Bonds3

About N-tert-butyl-2-[(3-chloro-2-pyridinyl)amino]acetamide

N-tert-butyl-2-[(3-chloro-2-pyridinyl)amino]acetamide (PubChem CID 115279391) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is N-tert-butyl-2-[(3-chloro-2-pyridinyl)amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(3-chloro-2-pyridinyl)amino]acetamide
PubChem CID115279391
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC NameN-tert-butyl-2-[(3-chloro-2-pyridinyl)amino]acetamide
SMILESCC(C)(C)NC(=O)CNc1ncccc1Cl
InChIInChI=1S/C11H16ClN3O/c1-11(2,3)15-9(16)7-14-10-8(12)5-4-6-13-10/h4-6H,7H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyPSPWNNDFTQQLJW-UHFFFAOYSA-N
XLogP2.06
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(3-chloro-2-pyridinyl)amino]acetamide?
The IUPAC name of N-tert-butyl-2-[(3-chloro-2-pyridinyl)amino]acetamide (CID 115279391) is N-tert-butyl-2-[(3-chloro-2-pyridinyl)amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[(3-chloro-2-pyridinyl)amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[(3-chloro-2-pyridinyl)amino]acetamide is CC(C)(C)NC(=O)CNc1ncccc1Cl.
What is the InChIKey of N-tert-butyl-2-[(3-chloro-2-pyridinyl)amino]acetamide?
The InChIKey is PSPWNNDFTQQLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-11(2,3)15-9(16)7-14-10-8(12)5-4-6-13-10/h4-6H,7H2,1-3H3,(H,13,14)(H,15,16).
What are the key properties of N-tert-butyl-2-[(3-chloro-2-pyridinyl)amino]acetamide?
N-tert-butyl-2-[(3-chloro-2-pyridinyl)amino]acetamide has a molecular weight of 241.72 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(3-chloro-2-pyridinyl)amino]acetamide is sourced from PubChem (CID 115279391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).