3-methyl-N-[5-(4-propan-2-ylanilino)-2-pyridinyl]butanamide

C19H25N3O — CID 113032755

IUPAC3-methyl-N-[5-(4-propan-2-ylanilino)-2-pyridinyl]butanamide
SMILESCC(C)CC(=O)Nc1ccc(Nc2ccc(C(C)C)cc2)cn1
InChIInChI=1S/C19H25N3O/c1-13(2)11-19(23)22-18-10-9-17(12-20-18)21-16-7-5-15(6-8-16)14(3)4/h5-10,12-14,21H,11H2,1-4H3,(H,20,22,23)
InChIKeyVIEFJFOVHCWGFS-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.93
Rot. Bonds6

About 3-methyl-N-[5-(4-propan-2-ylanilino)-2-pyridinyl]butanamide

3-methyl-N-[5-(4-propan-2-ylanilino)-2-pyridinyl]butanamide (PubChem CID 113032755) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 3-methyl-N-[5-(4-propan-2-ylanilino)-2-pyridinyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[5-(4-propan-2-ylanilino)-2-pyridinyl]butanamide
PubChem CID113032755
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name3-methyl-N-[5-(4-propan-2-ylanilino)-2-pyridinyl]butanamide
SMILESCC(C)CC(=O)Nc1ccc(Nc2ccc(C(C)C)cc2)cn1
InChIInChI=1S/C19H25N3O/c1-13(2)11-19(23)22-18-10-9-17(12-20-18)21-16-7-5-15(6-8-16)14(3)4/h5-10,12-14,21H,11H2,1-4H3,(H,20,22,23)
InChIKeyVIEFJFOVHCWGFS-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

N-[5-(4-acetylanilino)-2-pyridinyl]-3-methylbutanamide
CID 113035034
N-[5-(4-ethylanilino)-2-pyridinyl]-3-methylbutanamide
CID 113032476
2-methyl-N-[5-(4-propan-2-ylanilino)-2-pyridinyl]propanamide
CID 113032752
N-[5-(3-chloro-4-methylanilino)-2-pyridinyl]-3-methylbutanamide
CID 113033611
N-[5-(2,6-dichloroanilino)-2-pyridinyl]-3-methylbutanamide
CID 113036821
3-methyl-N-[5-(1-phenylethylamino)-2-pyridinyl]butanamide
CID 113026782
N-[5-(4-propan-2-ylanilino)-2-pyridinyl]furan-2-carboxamide
CID 113032758
3-methyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]butanamide
CID 113027627
N-[6-(4-ethoxyanilino)-3-pyridinyl]-3-methylbutanamide
CID 113019664
3-methyl-N-[6-(2-propan-2-ylanilino)-3-pyridinyl]butanamide
CID 113017723
N-[5-[2-(4-chlorophenyl)ethylamino]-2-pyridinyl]-3-methylbutanamide
CID 113028999
N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]-3-methylbutanamide
CID 113027171

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[5-(4-propan-2-ylanilino)-2-pyridinyl]butanamide?
The IUPAC name of 3-methyl-N-[5-(4-propan-2-ylanilino)-2-pyridinyl]butanamide (CID 113032755) is 3-methyl-N-[5-(4-propan-2-ylanilino)-2-pyridinyl]butanamide.
What is the SMILES notation for 3-methyl-N-[5-(4-propan-2-ylanilino)-2-pyridinyl]butanamide?
The canonical SMILES for 3-methyl-N-[5-(4-propan-2-ylanilino)-2-pyridinyl]butanamide is CC(C)CC(=O)Nc1ccc(Nc2ccc(C(C)C)cc2)cn1.
What is the InChIKey of 3-methyl-N-[5-(4-propan-2-ylanilino)-2-pyridinyl]butanamide?
The InChIKey is VIEFJFOVHCWGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-13(2)11-19(23)22-18-10-9-17(12-20-18)21-16-7-5-15(6-8-16)14(3)4/h5-10,12-14,21H,11H2,1-4H3,(H,20,22,23).
What are the key properties of 3-methyl-N-[5-(4-propan-2-ylanilino)-2-pyridinyl]butanamide?
3-methyl-N-[5-(4-propan-2-ylanilino)-2-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-[5-(4-propan-2-ylanilino)-2-pyridinyl]butanamide is sourced from PubChem (CID 113032755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).