N-butan-2-yl-3-[(3,5,6-trichloro-2-pyridinyl)amino]propanamide

C12H16Cl3N3O — CID 102750885

IUPACN-butan-2-yl-3-[(3,5,6-trichloro-2-pyridinyl)amino]propanamide
SMILESCCC(C)NC(=O)CCNc1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C12H16Cl3N3O/c1-3-7(2)17-10(19)4-5-16-12-9(14)6-8(13)11(15)18-12/h6-7H,3-5H2,1-2H3,(H,16,18)(H,17,19)
InChIKeySCPFSZPALZIDTR-UHFFFAOYSA-N
MW324.64 g/mol
LogP3.76
Rot. Bonds6

About N-butan-2-yl-3-[(3,5,6-trichloro-2-pyridinyl)amino]propanamide

N-butan-2-yl-3-[(3,5,6-trichloro-2-pyridinyl)amino]propanamide (PubChem CID 102750885) has the molecular formula C12H16Cl3N3O and a molecular weight of 324.64 g/mol. Its IUPAC name is N-butan-2-yl-3-[(3,5,6-trichloro-2-pyridinyl)amino]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[(3,5,6-trichloro-2-pyridinyl)amino]propanamide
PubChem CID102750885
Molecular FormulaC12H16Cl3N3O
Molecular Weight324.64 g/mol
Exact Mass323.04
IUPAC NameN-butan-2-yl-3-[(3,5,6-trichloro-2-pyridinyl)amino]propanamide
SMILESCCC(C)NC(=O)CCNc1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C12H16Cl3N3O/c1-3-7(2)17-10(19)4-5-16-12-9(14)6-8(13)11(15)18-12/h6-7H,3-5H2,1-2H3,(H,16,18)(H,17,19)
InChIKeySCPFSZPALZIDTR-UHFFFAOYSA-N
XLogP3.76
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.64
LogP ≤ 53.76
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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Related Compounds

3-[(2-amino-5-chloropyrimidin-4-yl)amino]-N-butan-2-ylpropanamide
CID 80819921
N-butan-2-yl-3-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]propanamide
CID 80819644
3-[(6-amino-3,5-dichloro-2-pyridinyl)amino]-N-propan-2-ylpropanamide
CID 102759699
N-(2-methoxyethyl)-3-[(3,5,6-trichloro-2-pyridinyl)amino]propanamide
CID 102751815
N-butan-2-yl-3-[(6-chloro-5-formylpyrimidin-4-yl)amino]propanamide
CID 66369006
N-propyl-2-[(3,5,6-trichloro-2-pyridinyl)amino]acetamide
CID 102750399
N-butan-2-yl-3-[1-(3,4-dichlorophenyl)ethylamino]propanamide
CID 61022567
N-butan-2-yl-3-(2,4,6-trimethylanilino)propanamide
CID 109012984
1-[(3,5,6-trichloro-2-pyridinyl)amino]propan-2-ol
CID 102750353
N-butan-2-yl-3-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]propanamide
CID 80819434
3-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]amino]-N-butan-2-ylpropanamide
CID 80819829
N-butan-2-yl-3-[(3-fluoro-2-pyridinyl)amino]propanamide
CID 62735284

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[(3,5,6-trichloro-2-pyridinyl)amino]propanamide?
The IUPAC name of N-butan-2-yl-3-[(3,5,6-trichloro-2-pyridinyl)amino]propanamide (CID 102750885) is N-butan-2-yl-3-[(3,5,6-trichloro-2-pyridinyl)amino]propanamide.
What is the SMILES notation for N-butan-2-yl-3-[(3,5,6-trichloro-2-pyridinyl)amino]propanamide?
The canonical SMILES for N-butan-2-yl-3-[(3,5,6-trichloro-2-pyridinyl)amino]propanamide is CCC(C)NC(=O)CCNc1nc(Cl)c(Cl)cc1Cl.
What is the InChIKey of N-butan-2-yl-3-[(3,5,6-trichloro-2-pyridinyl)amino]propanamide?
The InChIKey is SCPFSZPALZIDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl3N3O/c1-3-7(2)17-10(19)4-5-16-12-9(14)6-8(13)11(15)18-12/h6-7H,3-5H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N-butan-2-yl-3-[(3,5,6-trichloro-2-pyridinyl)amino]propanamide?
N-butan-2-yl-3-[(3,5,6-trichloro-2-pyridinyl)amino]propanamide has a molecular weight of 324.64 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[(3,5,6-trichloro-2-pyridinyl)amino]propanamide is sourced from PubChem (CID 102750885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).