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

C19H25N3O — CID 113017723

IUPAC3-methyl-N-[6-(2-propan-2-ylanilino)-3-pyridinyl]butanamide
SMILESCC(C)CC(=O)Nc1ccc(Nc2ccccc2C(C)C)nc1
InChIInChI=1S/C19H25N3O/c1-13(2)11-19(23)21-15-9-10-18(20-12-15)22-17-8-6-5-7-16(17)14(3)4/h5-10,12-14H,11H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyZHLRKXZXNRZQKV-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.93
Rot. Bonds6

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

3-methyl-N-[6-(2-propan-2-ylanilino)-3-pyridinyl]butanamide (PubChem CID 113017723) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 3-methyl-N-[6-(2-propan-2-ylanilino)-3-pyridinyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[6-(2-propan-2-ylanilino)-3-pyridinyl]butanamide
PubChem CID113017723
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name3-methyl-N-[6-(2-propan-2-ylanilino)-3-pyridinyl]butanamide
SMILESCC(C)CC(=O)Nc1ccc(Nc2ccccc2C(C)C)nc1
InChIInChI=1S/C19H25N3O/c1-13(2)11-19(23)21-15-9-10-18(20-12-15)22-17-8-6-5-7-16(17)14(3)4/h5-10,12-14H,11H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyZHLRKXZXNRZQKV-UHFFFAOYSA-N
XLogP4.93
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]butanamide
CID 113019825
3-methyl-N-[6-(2-methyl-6-propan-2-ylanilino)-3-pyridinyl]butanamide
CID 113018002
N-[6-(2-propan-2-ylanilino)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 113017744
2-(4-chlorophenoxy)-N-[6-(2-propan-2-ylanilino)-3-pyridinyl]acetamide
CID 113017751
4-chloro-N-[6-(2-propan-2-ylanilino)-3-pyridinyl]benzamide
CID 113017755
N-[6-(4-ethoxyanilino)-3-pyridinyl]-3-methylbutanamide
CID 113019664
3-chloro-N-[6-(2-propan-2-ylanilino)-3-pyridinyl]benzamide
CID 113017754
N-[6-[2,6-di(propan-2-yl)anilino]-3-pyridinyl]propanamide
CID 113021698
N-[6-(3-bromoanilino)-3-pyridinyl]-3-methylbutanamide
CID 113021415
3-methyl-N-[6-(4-phenylmethoxyanilino)-3-pyridinyl]butanamide
CID 113021236
3-methyl-N-[5-(4-propan-2-ylanilino)-2-pyridinyl]butanamide
CID 113032755
methyl 4-[[6-(2-propan-2-ylanilino)pyridine-3-carbonyl]amino]benzoate
CID 109163018

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[6-(2-propan-2-ylanilino)-3-pyridinyl]butanamide?
The IUPAC name of 3-methyl-N-[6-(2-propan-2-ylanilino)-3-pyridinyl]butanamide (CID 113017723) is 3-methyl-N-[6-(2-propan-2-ylanilino)-3-pyridinyl]butanamide.
What is the SMILES notation for 3-methyl-N-[6-(2-propan-2-ylanilino)-3-pyridinyl]butanamide?
The canonical SMILES for 3-methyl-N-[6-(2-propan-2-ylanilino)-3-pyridinyl]butanamide is CC(C)CC(=O)Nc1ccc(Nc2ccccc2C(C)C)nc1.
What is the InChIKey of 3-methyl-N-[6-(2-propan-2-ylanilino)-3-pyridinyl]butanamide?
The InChIKey is ZHLRKXZXNRZQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-13(2)11-19(23)21-15-9-10-18(20-12-15)22-17-8-6-5-7-16(17)14(3)4/h5-10,12-14H,11H2,1-4H3,(H,20,22)(H,21,23).
What are the key properties of 3-methyl-N-[6-(2-propan-2-ylanilino)-3-pyridinyl]butanamide?
3-methyl-N-[6-(2-propan-2-ylanilino)-3-pyridinyl]butanamide has a molecular weight of 311.43 g/mol, XLogP of 4.93, 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-propan-2-ylanilino)-3-pyridinyl]butanamide is sourced from PubChem (CID 113017723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).