3-methyl-N-[6-(2-methyl-6-propan-2-ylanilino)-3-pyridinyl]butanamide

C20H27N3O — CID 113018002

IUPAC3-methyl-N-[6-(2-methyl-6-propan-2-ylanilino)-3-pyridinyl]butanamide
SMILESCc1cccc(C(C)C)c1Nc1ccc(NC(=O)CC(C)C)cn1
InChIInChI=1S/C20H27N3O/c1-13(2)11-19(24)22-16-9-10-18(21-12-16)23-20-15(5)7-6-8-17(20)14(3)4/h6-10,12-14H,11H2,1-5H3,(H,21,23)(H,22,24)
InChIKeyQWQXFPNKIDXERV-UHFFFAOYSA-N
MW325.46 g/mol
LogP5.24
Rot. Bonds6

About 3-methyl-N-[6-(2-methyl-6-propan-2-ylanilino)-3-pyridinyl]butanamide

3-methyl-N-[6-(2-methyl-6-propan-2-ylanilino)-3-pyridinyl]butanamide (PubChem CID 113018002) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 3-methyl-N-[6-(2-methyl-6-propan-2-ylanilino)-3-pyridinyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[6-(2-methyl-6-propan-2-ylanilino)-3-pyridinyl]butanamide
PubChem CID113018002
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name3-methyl-N-[6-(2-methyl-6-propan-2-ylanilino)-3-pyridinyl]butanamide
SMILESCc1cccc(C(C)C)c1Nc1ccc(NC(=O)CC(C)C)cn1
InChIInChI=1S/C20H27N3O/c1-13(2)11-19(24)22-16-9-10-18(21-12-16)23-20-15(5)7-6-8-17(20)14(3)4/h6-10,12-14H,11H2,1-5H3,(H,21,23)(H,22,24)
InChIKeyQWQXFPNKIDXERV-UHFFFAOYSA-N
XLogP5.24
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.46
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-methyl-N-[6-(2-methyl-6-propan-2-ylanilino)-3-pyridinyl]butanamide 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

3-methyl-N-[6-(2-propan-2-ylanilino)-3-pyridinyl]butanamide
CID 113017723
N-[6-[2,6-di(propan-2-yl)anilino]-3-pyridinyl]propanamide
CID 113021698
N-[5-(2-methyl-6-propan-2-ylanilino)-2-pyridinyl]butanamide
CID 113032871
1-cyclopropyl-3-[6-(2-methyl-6-propan-2-ylanilino)-3-pyridinyl]urea
CID 113018035
ethyl N-[5-(2-methyl-6-propan-2-ylanilino)-2-pyridinyl]carbamate
CID 113032879
methyl N-[6-[2,6-di(propan-2-yl)anilino]-3-pyridinyl]carbamate
CID 113021705
N-[6-(2-methyl-6-propan-2-ylanilino)-3-pyridinyl]propane-1-sulfonamide
CID 113018038
N-[6-(3-bromoanilino)-3-pyridinyl]-3-methylbutanamide
CID 113021415
N-[6-(4-ethoxyanilino)-3-pyridinyl]-3-methylbutanamide
CID 113019664
N-[6-[2,6-di(propan-2-yl)anilino]-3-pyridinyl]cyclopropanecarboxamide
CID 113021701
5-chloro-N-(2-methyl-6-propan-2-ylphenyl)pyridin-2-amine
CID 66234324
5-bromo-N-(2-methyl-6-propan-2-ylphenyl)pyridin-2-amine
CID 63463659

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[6-(2-methyl-6-propan-2-ylanilino)-3-pyridinyl]butanamide?
The IUPAC name of 3-methyl-N-[6-(2-methyl-6-propan-2-ylanilino)-3-pyridinyl]butanamide (CID 113018002) is 3-methyl-N-[6-(2-methyl-6-propan-2-ylanilino)-3-pyridinyl]butanamide.
What is the SMILES notation for 3-methyl-N-[6-(2-methyl-6-propan-2-ylanilino)-3-pyridinyl]butanamide?
The canonical SMILES for 3-methyl-N-[6-(2-methyl-6-propan-2-ylanilino)-3-pyridinyl]butanamide is Cc1cccc(C(C)C)c1Nc1ccc(NC(=O)CC(C)C)cn1.
What is the InChIKey of 3-methyl-N-[6-(2-methyl-6-propan-2-ylanilino)-3-pyridinyl]butanamide?
The InChIKey is QWQXFPNKIDXERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-13(2)11-19(24)22-16-9-10-18(21-12-16)23-20-15(5)7-6-8-17(20)14(3)4/h6-10,12-14H,11H2,1-5H3,(H,21,23)(H,22,24).
What are the key properties of 3-methyl-N-[6-(2-methyl-6-propan-2-ylanilino)-3-pyridinyl]butanamide?
3-methyl-N-[6-(2-methyl-6-propan-2-ylanilino)-3-pyridinyl]butanamide has a molecular weight of 325.46 g/mol, XLogP of 5.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[6-(2-methyl-6-propan-2-ylanilino)-3-pyridinyl]butanamide is sourced from PubChem (CID 113018002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).