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

C19H25N3O2 — CID 113019825

IUPAC3-methyl-N-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]butanamide
SMILESCC(C)CC(=O)Nc1ccc(Nc2ccccc2OC(C)C)nc1
InChIInChI=1S/C19H25N3O2/c1-13(2)11-19(23)21-15-9-10-18(20-12-15)22-16-7-5-6-8-17(16)24-14(3)4/h5-10,12-14H,11H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyCPQWCNFLADZBJM-UHFFFAOYSA-N
MW327.43 g/mol
LogP4.60
Rot. Bonds7

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

3-methyl-N-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]butanamide (PubChem CID 113019825) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 3-methyl-N-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]butanamide
PubChem CID113019825
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name3-methyl-N-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]butanamide
SMILESCC(C)CC(=O)Nc1ccc(Nc2ccccc2OC(C)C)nc1
InChIInChI=1S/C19H25N3O2/c1-13(2)11-19(23)21-15-9-10-18(20-12-15)22-16-7-5-6-8-17(16)24-14(3)4/h5-10,12-14H,11H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyCPQWCNFLADZBJM-UHFFFAOYSA-N
XLogP4.60
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]carbamate
CID 113019866
3-methyl-N-[6-(2-propan-2-ylanilino)-3-pyridinyl]butanamide
CID 113017723
2,2-dimethyl-N-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]propanamide
CID 113019828
2-methoxy-N-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]benzamide
CID 113019839
2-ethyl-N-[5-(2-propan-2-yloxyanilino)-2-pyridinyl]butanamide
CID 113034496
2-(2-fluorophenyl)-N-[5-(2-propan-2-yloxyanilino)-2-pyridinyl]acetamide
CID 113034524
3-methyl-N-[6-(4-phenylmethoxyanilino)-3-pyridinyl]butanamide
CID 113021236
2-(4-methylphenoxy)-N-[5-(2-propan-2-yloxyanilino)-2-pyridinyl]acetamide
CID 113034522
N-[6-(4-ethoxyanilino)-3-pyridinyl]-3-methylbutanamide
CID 113019664
5-(dimethylsulfamoylamino)-2-(2-propan-2-yloxyanilino)pyridine
CID 113019877
N-[6-(3-bromoanilino)-3-pyridinyl]-3-methylbutanamide
CID 113021415
N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]butanamide
CID 113048612

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]butanamide?
The IUPAC name of 3-methyl-N-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]butanamide (CID 113019825) is 3-methyl-N-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]butanamide.
What is the SMILES notation for 3-methyl-N-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]butanamide?
The canonical SMILES for 3-methyl-N-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]butanamide is CC(C)CC(=O)Nc1ccc(Nc2ccccc2OC(C)C)nc1.
What is the InChIKey of 3-methyl-N-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]butanamide?
The InChIKey is CPQWCNFLADZBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-13(2)11-19(23)21-15-9-10-18(20-12-15)22-16-7-5-6-8-17(16)24-14(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-yloxyanilino)-3-pyridinyl]butanamide?
3-methyl-N-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]butanamide has a molecular weight of 327.43 g/mol, XLogP of 4.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]butanamide is sourced from PubChem (CID 113019825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).