2-[(4-amino-6-chloro-2-pyridinyl)-(2-methylpropyl)amino]acetamide

C11H17ClN4O — CID 114070570

IUPAC2-[(4-amino-6-chloro-2-pyridinyl)-(2-methylpropyl)amino]acetamide
SMILESCC(C)CN(CC(N)=O)c1cc(N)cc(Cl)n1
InChIInChI=1S/C11H17ClN4O/c1-7(2)5-16(6-10(14)17)11-4-8(13)3-9(12)15-11/h3-4,7H,5-6H2,1-2H3,(H2,13,15)(H2,14,17)
InChIKeyKDGSPFIWYUDVEL-UHFFFAOYSA-N
MW256.74 g/mol
LogP1.26
Rot. Bonds5

About 2-[(4-amino-6-chloro-2-pyridinyl)-(2-methylpropyl)amino]acetamide

2-[(4-amino-6-chloro-2-pyridinyl)-(2-methylpropyl)amino]acetamide (PubChem CID 114070570) has the molecular formula C11H17ClN4O and a molecular weight of 256.74 g/mol. Its IUPAC name is 2-[(4-amino-6-chloro-2-pyridinyl)-(2-methylpropyl)amino]acetamide.

Molecular Properties

Compound Name2-[(4-amino-6-chloro-2-pyridinyl)-(2-methylpropyl)amino]acetamide
PubChem CID114070570
Molecular FormulaC11H17ClN4O
Molecular Weight256.74 g/mol
Exact Mass256.11
IUPAC Name2-[(4-amino-6-chloro-2-pyridinyl)-(2-methylpropyl)amino]acetamide
SMILESCC(C)CN(CC(N)=O)c1cc(N)cc(Cl)n1
InChIInChI=1S/C11H17ClN4O/c1-7(2)5-16(6-10(14)17)11-4-8(13)3-9(12)15-11/h3-4,7H,5-6H2,1-2H3,(H2,13,15)(H2,14,17)
InChIKeyKDGSPFIWYUDVEL-UHFFFAOYSA-N
XLogP1.26
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(6-amino-2-methylsulfanylpyrimidin-4-yl)-(2-methylpropyl)amino]acetamide
CID 80821516
2-[(6-amino-2-cyclopropylpyrimidin-4-yl)-(2-methylpropyl)amino]acetamide
CID 80961509
2-[2-methylpropyl-(3,5,6-trichloro-2-pyridinyl)amino]acetamide
CID 102750804
2-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]-6-chloropyridine-3-carboxylic acid
CID 63379944
2-[3-amino-5-fluoro-N-(2-methylpropyl)anilino]acetamide
CID 55002568
2-[(4-amino-6-chloro-2-pyridinyl)-methylamino]-N,N-dimethylacetamide
CID 104918783
2-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]-(2-methylpropyl)amino]acetamide
CID 80820634
2-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]-(2-methylpropyl)amino]acetamide
CID 102720618
2-[(5-amino-1H-1,2,4-triazol-3-yl)-(2-methylpropyl)amino]acetamide
CID 66276488
2-[3-amino-N-(2-methylpropyl)-5-propan-2-yloxyanilino]acetamide
CID 80739194
2-[(4-carbamothioyl-2-pyridinyl)-(2-methylpropyl)amino]acetamide
CID 55003708
2-[(2-hydrazinylpyrimidin-4-yl)-(2-methylpropyl)amino]acetamide
CID 80901634

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-6-chloro-2-pyridinyl)-(2-methylpropyl)amino]acetamide?
The IUPAC name of 2-[(4-amino-6-chloro-2-pyridinyl)-(2-methylpropyl)amino]acetamide (CID 114070570) is 2-[(4-amino-6-chloro-2-pyridinyl)-(2-methylpropyl)amino]acetamide.
What is the SMILES notation for 2-[(4-amino-6-chloro-2-pyridinyl)-(2-methylpropyl)amino]acetamide?
The canonical SMILES for 2-[(4-amino-6-chloro-2-pyridinyl)-(2-methylpropyl)amino]acetamide is CC(C)CN(CC(N)=O)c1cc(N)cc(Cl)n1.
What is the InChIKey of 2-[(4-amino-6-chloro-2-pyridinyl)-(2-methylpropyl)amino]acetamide?
The InChIKey is KDGSPFIWYUDVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O/c1-7(2)5-16(6-10(14)17)11-4-8(13)3-9(12)15-11/h3-4,7H,5-6H2,1-2H3,(H2,13,15)(H2,14,17).
What are the key properties of 2-[(4-amino-6-chloro-2-pyridinyl)-(2-methylpropyl)amino]acetamide?
2-[(4-amino-6-chloro-2-pyridinyl)-(2-methylpropyl)amino]acetamide has a molecular weight of 256.74 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-6-chloro-2-pyridinyl)-(2-methylpropyl)amino]acetamide is sourced from PubChem (CID 114070570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).