2-[butyl-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]amino]acetamide

C13H19ClN4O2 — CID 47284352

IUPAC2-[butyl-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]amino]acetamide
SMILESCCCCN(CC(N)=O)CC(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C13H19ClN4O2/c1-2-3-6-18(8-11(15)19)9-13(20)17-12-5-4-10(14)7-16-12/h4-5,7H,2-3,6,8-9H2,1H3,(H2,15,19)(H,16,17,20)
InChIKeyCQGYEDWTJPQWLS-UHFFFAOYSA-N
MW298.77 g/mol
LogP1.26
Rot. Bonds8

About 2-[butyl-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]amino]acetamide

2-[butyl-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]amino]acetamide (PubChem CID 47284352) has the molecular formula C13H19ClN4O2 and a molecular weight of 298.77 g/mol. Its IUPAC name is 2-[butyl-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]amino]acetamide.

Molecular Properties

Compound Name2-[butyl-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]amino]acetamide
PubChem CID47284352
Molecular FormulaC13H19ClN4O2
Molecular Weight298.77 g/mol
Exact Mass298.12
IUPAC Name2-[butyl-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]amino]acetamide
SMILESCCCCN(CC(N)=O)CC(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C13H19ClN4O2/c1-2-3-6-18(8-11(15)19)9-13(20)17-12-5-4-10(14)7-16-12/h4-5,7H,2-3,6,8-9H2,1H3,(H2,15,19)(H,16,17,20)
InChIKeyCQGYEDWTJPQWLS-UHFFFAOYSA-N
XLogP1.26
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[butyl-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]amino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[butyl-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]amino]acetamide?
The IUPAC name of 2-[butyl-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]amino]acetamide (CID 47284352) is 2-[butyl-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]amino]acetamide.
What is the SMILES notation for 2-[butyl-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]amino]acetamide?
The canonical SMILES for 2-[butyl-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]amino]acetamide is CCCCN(CC(N)=O)CC(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of 2-[butyl-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]amino]acetamide?
The InChIKey is CQGYEDWTJPQWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4O2/c1-2-3-6-18(8-11(15)19)9-13(20)17-12-5-4-10(14)7-16-12/h4-5,7H,2-3,6,8-9H2,1H3,(H2,15,19)(H,16,17,20).
What are the key properties of 2-[butyl-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]amino]acetamide?
2-[butyl-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]amino]acetamide has a molecular weight of 298.77 g/mol, XLogP of 1.26, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]amino]acetamide is sourced from PubChem (CID 47284352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).