N-[5-(2,6-dichloroanilino)-2-pyridinyl]-3-methylbutanamide

C16H17Cl2N3O — CID 113036821

IUPACN-[5-(2,6-dichloroanilino)-2-pyridinyl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc(Nc2c(Cl)cccc2Cl)cn1
InChIInChI=1S/C16H17Cl2N3O/c1-10(2)8-15(22)21-14-7-6-11(9-19-14)20-16-12(17)4-3-5-13(16)18/h3-7,9-10,20H,8H2,1-2H3,(H,19,21,22)
InChIKeyGXACVBLOQKBYGV-UHFFFAOYSA-N
MW338.24 g/mol
LogP5.12
Rot. Bonds5

About N-[5-(2,6-dichloroanilino)-2-pyridinyl]-3-methylbutanamide

N-[5-(2,6-dichloroanilino)-2-pyridinyl]-3-methylbutanamide (PubChem CID 113036821) has the molecular formula C16H17Cl2N3O and a molecular weight of 338.24 g/mol. Its IUPAC name is N-[5-(2,6-dichloroanilino)-2-pyridinyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[5-(2,6-dichloroanilino)-2-pyridinyl]-3-methylbutanamide
PubChem CID113036821
Molecular FormulaC16H17Cl2N3O
Molecular Weight338.24 g/mol
Exact Mass337.07
IUPAC NameN-[5-(2,6-dichloroanilino)-2-pyridinyl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc(Nc2c(Cl)cccc2Cl)cn1
InChIInChI=1S/C16H17Cl2N3O/c1-10(2)8-15(22)21-14-7-6-11(9-19-14)20-16-12(17)4-3-5-13(16)18/h3-7,9-10,20H,8H2,1-2H3,(H,19,21,22)
InChIKeyGXACVBLOQKBYGV-UHFFFAOYSA-N
XLogP5.12
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.24
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[5-(4-propan-2-ylanilino)-2-pyridinyl]butanamide
CID 113032755
N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]-3-methylbutanamide
CID 113027171
N-[5-(3-chloro-4-methylanilino)-2-pyridinyl]-3-methylbutanamide
CID 113033611
N-[5-(2,6-dichloroanilino)-2-pyridinyl]cyclopropanecarboxamide
CID 113036819
N-(2,6-dichlorophenyl)-3-methylbutanamide
CID 849070
N-[5-(4-ethylanilino)-2-pyridinyl]-3-methylbutanamide
CID 113032476
N-[5-(4-acetylanilino)-2-pyridinyl]-3-methylbutanamide
CID 113035034
N-[6-[(2-chlorophenyl)methylamino]-3-pyridinyl]-3-methylbutanamide
CID 113012194
3-methyl-N-[5-(1-phenylethylamino)-2-pyridinyl]butanamide
CID 113026782
N-[5-[2-(4-chlorophenyl)ethylamino]-2-pyridinyl]-3-methylbutanamide
CID 113028999
3-methyl-N-[6-(2-methyl-6-propan-2-ylanilino)-3-pyridinyl]butanamide
CID 113018002
N-[6-(3-bromoanilino)-3-pyridinyl]-3-methylbutanamide
CID 113021415

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,6-dichloroanilino)-2-pyridinyl]-3-methylbutanamide?
The IUPAC name of N-[5-(2,6-dichloroanilino)-2-pyridinyl]-3-methylbutanamide (CID 113036821) is N-[5-(2,6-dichloroanilino)-2-pyridinyl]-3-methylbutanamide.
What is the SMILES notation for N-[5-(2,6-dichloroanilino)-2-pyridinyl]-3-methylbutanamide?
The canonical SMILES for N-[5-(2,6-dichloroanilino)-2-pyridinyl]-3-methylbutanamide is CC(C)CC(=O)Nc1ccc(Nc2c(Cl)cccc2Cl)cn1.
What is the InChIKey of N-[5-(2,6-dichloroanilino)-2-pyridinyl]-3-methylbutanamide?
The InChIKey is GXACVBLOQKBYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3O/c1-10(2)8-15(22)21-14-7-6-11(9-19-14)20-16-12(17)4-3-5-13(16)18/h3-7,9-10,20H,8H2,1-2H3,(H,19,21,22).
What are the key properties of N-[5-(2,6-dichloroanilino)-2-pyridinyl]-3-methylbutanamide?
N-[5-(2,6-dichloroanilino)-2-pyridinyl]-3-methylbutanamide has a molecular weight of 338.24 g/mol, XLogP of 5.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,6-dichloroanilino)-2-pyridinyl]-3-methylbutanamide is sourced from PubChem (CID 113036821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).