4-amino-3-methyl-N-(2-methyl-4-pyridinyl)butanamide

C11H17N3O — CID 81079755

IUPAC4-amino-3-methyl-N-(2-methyl-4-pyridinyl)butanamide
SMILESCc1cc(NC(=O)CC(C)CN)ccn1
InChIInChI=1S/C11H17N3O/c1-8(7-12)5-11(15)14-10-3-4-13-9(2)6-10/h3-4,6,8H,5,7,12H2,1-2H3,(H,13,14,15)
InChIKeyKIJOFQJBKJYOBS-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.31
Rot. Bonds4

About 4-amino-3-methyl-N-(2-methyl-4-pyridinyl)butanamide

4-amino-3-methyl-N-(2-methyl-4-pyridinyl)butanamide (PubChem CID 81079755) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 4-amino-3-methyl-N-(2-methyl-4-pyridinyl)butanamide.

Molecular Properties

Compound Name4-amino-3-methyl-N-(2-methyl-4-pyridinyl)butanamide
PubChem CID81079755
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name4-amino-3-methyl-N-(2-methyl-4-pyridinyl)butanamide
SMILESCc1cc(NC(=O)CC(C)CN)ccn1
InChIInChI=1S/C11H17N3O/c1-8(7-12)5-11(15)14-10-3-4-13-9(2)6-10/h3-4,6,8H,5,7,12H2,1-2H3,(H,13,14,15)
InChIKeyKIJOFQJBKJYOBS-UHFFFAOYSA-N
XLogP1.31
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(2-methyl-4-pyridinyl)pentanamide;dihydrochloride
CID 120564262
N-(2-methyl-4-pyridinyl)butanamide
CID 78910950
4-amino-3-methyl-N-[3-(propanoylamino)phenyl]butanamide
CID 81087317
4-amino-3-methyl-N-[4-(3-methylbutanoylamino)phenyl]butanamide
CID 81084171
2-acetamido-N-(2-methyl-4-pyridinyl)acetamide
CID 110687090
4-amino-3-methyl-N-pyridin-3-ylbutanamide
CID 81070233
(2R)-2-hydroxy-N-(2-methyl-4-pyridinyl)propanamide
CID 131207206
2-(aminomethyl)-4,4-dimethyl-N-(2-methyl-4-pyridinyl)pentanamide
CID 107472380
4-hydroxy-N-(2-methyl-4-pyridinyl)butanamide
CID 79240902
2-(4-methylphenyl)-N-(2-methyl-4-pyridinyl)acetamide
CID 110756851
3-(methylamino)-N-(2-methyl-4-pyridinyl)propanamide
CID 79240940
3-[(4-amino-3-methylbutanoyl)amino]benzoic acid
CID 81087394

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-N-(2-methyl-4-pyridinyl)butanamide?
The IUPAC name of 4-amino-3-methyl-N-(2-methyl-4-pyridinyl)butanamide (CID 81079755) is 4-amino-3-methyl-N-(2-methyl-4-pyridinyl)butanamide.
What is the SMILES notation for 4-amino-3-methyl-N-(2-methyl-4-pyridinyl)butanamide?
The canonical SMILES for 4-amino-3-methyl-N-(2-methyl-4-pyridinyl)butanamide is Cc1cc(NC(=O)CC(C)CN)ccn1.
What is the InChIKey of 4-amino-3-methyl-N-(2-methyl-4-pyridinyl)butanamide?
The InChIKey is KIJOFQJBKJYOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8(7-12)5-11(15)14-10-3-4-13-9(2)6-10/h3-4,6,8H,5,7,12H2,1-2H3,(H,13,14,15).
What are the key properties of 4-amino-3-methyl-N-(2-methyl-4-pyridinyl)butanamide?
4-amino-3-methyl-N-(2-methyl-4-pyridinyl)butanamide has a molecular weight of 207.28 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-N-(2-methyl-4-pyridinyl)butanamide is sourced from PubChem (CID 81079755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).