3-[(4-amino-6-chloro-2-pyridinyl)amino]-3-methylbutanamide

C10H15ClN4O — CID 106095681

IUPAC3-[(4-amino-6-chloro-2-pyridinyl)amino]-3-methylbutanamide
SMILESCC(C)(CC(N)=O)Nc1cc(N)cc(Cl)n1
InChIInChI=1S/C10H15ClN4O/c1-10(2,5-8(13)16)15-9-4-6(12)3-7(11)14-9/h3-4H,5H2,1-2H3,(H2,13,16)(H3,12,14,15)
InChIKeyLEHCTSSUJDKSIV-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.38
Rot. Bonds4

About 3-[(4-amino-6-chloro-2-pyridinyl)amino]-3-methylbutanamide

3-[(4-amino-6-chloro-2-pyridinyl)amino]-3-methylbutanamide (PubChem CID 106095681) has the molecular formula C10H15ClN4O and a molecular weight of 242.71 g/mol. Its IUPAC name is 3-[(4-amino-6-chloro-2-pyridinyl)amino]-3-methylbutanamide.

Molecular Properties

Compound Name3-[(4-amino-6-chloro-2-pyridinyl)amino]-3-methylbutanamide
PubChem CID106095681
Molecular FormulaC10H15ClN4O
Molecular Weight242.71 g/mol
Exact Mass242.09
IUPAC Name3-[(4-amino-6-chloro-2-pyridinyl)amino]-3-methylbutanamide
SMILESCC(C)(CC(N)=O)Nc1cc(N)cc(Cl)n1
InChIInChI=1S/C10H15ClN4O/c1-10(2,5-8(13)16)15-9-4-6(12)3-7(11)14-9/h3-4H,5H2,1-2H3,(H2,13,16)(H3,12,14,15)
InChIKeyLEHCTSSUJDKSIV-UHFFFAOYSA-N
XLogP1.38
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(6-chloro-2-methylpyrimidin-4-yl)amino]-3-methylbutanamide
CID 106098086
3-[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]-3-methylbutanamide
CID 106098039
3-(4-amino-2,6-dichloroanilino)-3-methylbutanamide
CID 106095679
3-[(4-amino-2-pyridinyl)amino]-3-methylbutanamide
CID 106095700
3-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-3-methylbutanamide
CID 106098870
3-[(6-bromo-2-methylpyrimidin-4-yl)amino]-3-methylbutanamide
CID 106098033
3-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]-3-methylbutanamide
CID 106098719
3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-3-methylbutanamide
CID 106098676
3-methyl-3-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butanamide
CID 106097339
2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]-5-chloropyridine-4-carboxylic acid
CID 106096927
3-methyl-3-[[6-(methylamino)pyrazin-2-yl]amino]butanamide
CID 106098847
methyl 6-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]-2-methylpyridine-3-carboxylate
CID 106097210

Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-6-chloro-2-pyridinyl)amino]-3-methylbutanamide?
The IUPAC name of 3-[(4-amino-6-chloro-2-pyridinyl)amino]-3-methylbutanamide (CID 106095681) is 3-[(4-amino-6-chloro-2-pyridinyl)amino]-3-methylbutanamide.
What is the SMILES notation for 3-[(4-amino-6-chloro-2-pyridinyl)amino]-3-methylbutanamide?
The canonical SMILES for 3-[(4-amino-6-chloro-2-pyridinyl)amino]-3-methylbutanamide is CC(C)(CC(N)=O)Nc1cc(N)cc(Cl)n1.
What is the InChIKey of 3-[(4-amino-6-chloro-2-pyridinyl)amino]-3-methylbutanamide?
The InChIKey is LEHCTSSUJDKSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O/c1-10(2,5-8(13)16)15-9-4-6(12)3-7(11)14-9/h3-4H,5H2,1-2H3,(H2,13,16)(H3,12,14,15).
What are the key properties of 3-[(4-amino-6-chloro-2-pyridinyl)amino]-3-methylbutanamide?
3-[(4-amino-6-chloro-2-pyridinyl)amino]-3-methylbutanamide has a molecular weight of 242.71 g/mol, XLogP of 1.38, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-6-chloro-2-pyridinyl)amino]-3-methylbutanamide is sourced from PubChem (CID 106095681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).