N-[5-(3-chloro-4-methylanilino)-2-pyridinyl]-3-methylbutanamide

C17H20ClN3O — CID 113033611

IUPACN-[5-(3-chloro-4-methylanilino)-2-pyridinyl]-3-methylbutanamide
SMILESCc1ccc(Nc2ccc(NC(=O)CC(C)C)nc2)cc1Cl
InChIInChI=1S/C17H20ClN3O/c1-11(2)8-17(22)21-16-7-6-14(10-19-16)20-13-5-4-12(3)15(18)9-13/h4-7,9-11,20H,8H2,1-3H3,(H,19,21,22)
InChIKeyMVFTWUJPDNJKMK-UHFFFAOYSA-N
MW317.82 g/mol
LogP4.77
Rot. Bonds5

About N-[5-(3-chloro-4-methylanilino)-2-pyridinyl]-3-methylbutanamide

N-[5-(3-chloro-4-methylanilino)-2-pyridinyl]-3-methylbutanamide (PubChem CID 113033611) has the molecular formula C17H20ClN3O and a molecular weight of 317.82 g/mol. Its IUPAC name is N-[5-(3-chloro-4-methylanilino)-2-pyridinyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[5-(3-chloro-4-methylanilino)-2-pyridinyl]-3-methylbutanamide
PubChem CID113033611
Molecular FormulaC17H20ClN3O
Molecular Weight317.82 g/mol
Exact Mass317.13
IUPAC NameN-[5-(3-chloro-4-methylanilino)-2-pyridinyl]-3-methylbutanamide
SMILESCc1ccc(Nc2ccc(NC(=O)CC(C)C)nc2)cc1Cl
InChIInChI=1S/C17H20ClN3O/c1-11(2)8-17(22)21-16-7-6-14(10-19-16)20-13-5-4-12(3)15(18)9-13/h4-7,9-11,20H,8H2,1-3H3,(H,19,21,22)
InChIKeyMVFTWUJPDNJKMK-UHFFFAOYSA-N
XLogP4.77
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[5-(3-chloro-4-methylanilino)-2-pyridinyl]-3-methylbutanamide 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-[5-(3-chloro-4-methylanilino)-2-pyridinyl]butanamide
CID 113033607
3-methyl-N-[5-(4-propan-2-ylanilino)-2-pyridinyl]butanamide
CID 113032755
N-[5-(2,6-dichloroanilino)-2-pyridinyl]-3-methylbutanamide
CID 113036821
N-[5-(3-chloro-4-methylanilino)-2-pyridinyl]-2-thiophen-2-ylacetamide
CID 113033626
N-[5-(4-ethylanilino)-2-pyridinyl]-3-methylbutanamide
CID 113032476
N-[5-(4-acetylanilino)-2-pyridinyl]-3-methylbutanamide
CID 113035034
N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]-3-methylbutanamide
CID 113027171
N-[5-[2-(4-chlorophenyl)ethylamino]-2-pyridinyl]-3-methylbutanamide
CID 113028999
N-[5-(3-chloro-4-methylanilino)-2-pyridinyl]methanesulfonamide
CID 113033646
3-methyl-N-[5-(1-phenylethylamino)-2-pyridinyl]butanamide
CID 113026782
N-(3-chloro-4-methylphenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide
CID 109181317
N-[5-(3-chloro-4-methoxyanilino)-2-pyridinyl]-2-methylpropanamide
CID 113033749

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-chloro-4-methylanilino)-2-pyridinyl]-3-methylbutanamide?
The IUPAC name of N-[5-(3-chloro-4-methylanilino)-2-pyridinyl]-3-methylbutanamide (CID 113033611) is N-[5-(3-chloro-4-methylanilino)-2-pyridinyl]-3-methylbutanamide.
What is the SMILES notation for N-[5-(3-chloro-4-methylanilino)-2-pyridinyl]-3-methylbutanamide?
The canonical SMILES for N-[5-(3-chloro-4-methylanilino)-2-pyridinyl]-3-methylbutanamide is Cc1ccc(Nc2ccc(NC(=O)CC(C)C)nc2)cc1Cl.
What is the InChIKey of N-[5-(3-chloro-4-methylanilino)-2-pyridinyl]-3-methylbutanamide?
The InChIKey is MVFTWUJPDNJKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O/c1-11(2)8-17(22)21-16-7-6-14(10-19-16)20-13-5-4-12(3)15(18)9-13/h4-7,9-11,20H,8H2,1-3H3,(H,19,21,22).
What are the key properties of N-[5-(3-chloro-4-methylanilino)-2-pyridinyl]-3-methylbutanamide?
N-[5-(3-chloro-4-methylanilino)-2-pyridinyl]-3-methylbutanamide has a molecular weight of 317.82 g/mol, XLogP of 4.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-chloro-4-methylanilino)-2-pyridinyl]-3-methylbutanamide is sourced from PubChem (CID 113033611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).