N-butan-2-yl-5-(3,5-dichloroanilino)pyridine-3-carboxamide

C16H17Cl2N3O — CID 109225291

IUPACN-butan-2-yl-5-(3,5-dichloroanilino)pyridine-3-carboxamide
SMILESCCC(C)NC(=O)c1cncc(Nc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C16H17Cl2N3O/c1-3-10(2)20-16(22)11-4-15(9-19-8-11)21-14-6-12(17)5-13(18)7-14/h4-10,21H,3H2,1-2H3,(H,20,22)
InChIKeyMMJRCEKLABMULX-UHFFFAOYSA-N
MW338.24 g/mol
LogP4.66
Rot. Bonds5

About N-butan-2-yl-5-(3,5-dichloroanilino)pyridine-3-carboxamide

N-butan-2-yl-5-(3,5-dichloroanilino)pyridine-3-carboxamide (PubChem CID 109225291) has the molecular formula C16H17Cl2N3O and a molecular weight of 338.24 g/mol. Its IUPAC name is N-butan-2-yl-5-(3,5-dichloroanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-5-(3,5-dichloroanilino)pyridine-3-carboxamide
PubChem CID109225291
Molecular FormulaC16H17Cl2N3O
Molecular Weight338.24 g/mol
Exact Mass337.07
IUPAC NameN-butan-2-yl-5-(3,5-dichloroanilino)pyridine-3-carboxamide
SMILESCCC(C)NC(=O)c1cncc(Nc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C16H17Cl2N3O/c1-3-10(2)20-16(22)11-4-15(9-19-8-11)21-14-6-12(17)5-13(18)7-14/h4-10,21H,3H2,1-2H3,(H,20,22)
InChIKeyMMJRCEKLABMULX-UHFFFAOYSA-N
XLogP4.66
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.24
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-butan-2-yl-5-(3,5-dichloroanilino)pyridine-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-butan-2-yl-5-(3-chloro-4-methylanilino)pyridine-3-carboxamide
CID 109225232
N-butan-2-yl-5-(tert-butylamino)pyridine-3-carboxamide
CID 109225186
N-butan-2-yl-5-(2,4,6-trimethylanilino)pyridine-3-carboxamide
CID 109225219
N-butan-2-yl-5-(4-cyanoanilino)pyridine-3-carboxamide
CID 109225300
N-butan-2-yl-5-(3-methylbutylamino)pyridine-3-carboxamide
CID 109225189
5-(3,5-dichloroanilino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide
CID 109229253
5-(2-bromo-4-methylanilino)-N-butan-2-ylpyridine-3-carboxamide
CID 109225275
N-butan-2-yl-5-fluoropyridine-3-carboxamide
CID 115694418
N-butan-2-yl-5-[4-(4-methylpiperidin-1-yl)anilino]pyridine-3-carboxamide
CID 109225266
5-(3,5-dichloroanilino)-N,N-dipropylpyridine-3-carboxamide
CID 109241004
N-butan-2-yl-5-(3-methoxypropylamino)pyridine-3-carboxamide
CID 109225122
5-N-butan-2-yl-3-N-butylpyridine-3,5-dicarboxamide
CID 109101912

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-(3,5-dichloroanilino)pyridine-3-carboxamide?
The IUPAC name of N-butan-2-yl-5-(3,5-dichloroanilino)pyridine-3-carboxamide (CID 109225291) is N-butan-2-yl-5-(3,5-dichloroanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-5-(3,5-dichloroanilino)pyridine-3-carboxamide?
The canonical SMILES for N-butan-2-yl-5-(3,5-dichloroanilino)pyridine-3-carboxamide is CCC(C)NC(=O)c1cncc(Nc2cc(Cl)cc(Cl)c2)c1.
What is the InChIKey of N-butan-2-yl-5-(3,5-dichloroanilino)pyridine-3-carboxamide?
The InChIKey is MMJRCEKLABMULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3O/c1-3-10(2)20-16(22)11-4-15(9-19-8-11)21-14-6-12(17)5-13(18)7-14/h4-10,21H,3H2,1-2H3,(H,20,22).
What are the key properties of N-butan-2-yl-5-(3,5-dichloroanilino)pyridine-3-carboxamide?
N-butan-2-yl-5-(3,5-dichloroanilino)pyridine-3-carboxamide has a molecular weight of 338.24 g/mol, XLogP of 4.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-(3,5-dichloroanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109225291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).