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

C11H17N3O — CID 77004212

IUPAC2-amino-3-methyl-N-(3-methyl-4-pyridinyl)butanamide
SMILESCc1cnccc1NC(=O)C(N)C(C)C
InChIInChI=1S/C11H17N3O/c1-7(2)10(12)11(15)14-9-4-5-13-6-8(9)3/h4-7,10H,12H2,1-3H3,(H,13,14,15)
InChIKeyVTMWQSQHGUCJBH-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.31
Rot. Bonds3

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

2-amino-3-methyl-N-(3-methyl-4-pyridinyl)butanamide (PubChem CID 77004212) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-amino-3-methyl-N-(3-methyl-4-pyridinyl)butanamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-(3-methyl-4-pyridinyl)butanamide
PubChem CID77004212
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2-amino-3-methyl-N-(3-methyl-4-pyridinyl)butanamide
SMILESCc1cnccc1NC(=O)C(N)C(C)C
InChIInChI=1S/C11H17N3O/c1-7(2)10(12)11(15)14-9-4-5-13-6-8(9)3/h4-7,10H,12H2,1-3H3,(H,13,14,15)
InChIKeyVTMWQSQHGUCJBH-UHFFFAOYSA-N
XLogP1.31
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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

2-amino-2-(4-methylphenyl)-N-(3-methyl-4-pyridinyl)acetamide
CID 106151710
1-methyl-3-(3-methyl-4-pyridinyl)urea
CID 103881209
3-(ethylamino)-2-methyl-N-(3-methyl-4-pyridinyl)propanamide
CID 63672051
(2R)-2-butylsulfanyl-N-(3-methyl-4-pyridinyl)propanamide
CID 95615900
2-amino-N-(3-hydroxy-4-pyridinyl)propanamide
CID 131086156
1-tert-butyl-3-(3-methyl-4-pyridinyl)urea
CID 103881214
N-(5-acetamido-2-methylphenyl)-2-amino-3-methylbutanamide
CID 43697583
3-amino-2-methyl-N-(4-methyl-3-pyridinyl)butanamide;dihydrochloride
CID 120503193
2-carbamothioyl-N-(3-methyl-4-pyridinyl)pentanamide
CID 63672053
4-hydrazinyl-N-(3-methyl-4-pyridinyl)pyridine-3-carboxamide
CID 81249230
(2S)-2-amino-N-[4-(dimethylamino)-2-methylphenyl]-3-methylbutanamide
CID 61156017
2-amino-N-[4-(dimethylamino)-2-methylphenyl]-3-methylbutanamide
CID 43700591

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-(3-methyl-4-pyridinyl)butanamide?
The IUPAC name of 2-amino-3-methyl-N-(3-methyl-4-pyridinyl)butanamide (CID 77004212) is 2-amino-3-methyl-N-(3-methyl-4-pyridinyl)butanamide.
What is the SMILES notation for 2-amino-3-methyl-N-(3-methyl-4-pyridinyl)butanamide?
The canonical SMILES for 2-amino-3-methyl-N-(3-methyl-4-pyridinyl)butanamide is Cc1cnccc1NC(=O)C(N)C(C)C.
What is the InChIKey of 2-amino-3-methyl-N-(3-methyl-4-pyridinyl)butanamide?
The InChIKey is VTMWQSQHGUCJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-7(2)10(12)11(15)14-9-4-5-13-6-8(9)3/h4-7,10H,12H2,1-3H3,(H,13,14,15).
What are the key properties of 2-amino-3-methyl-N-(3-methyl-4-pyridinyl)butanamide?
2-amino-3-methyl-N-(3-methyl-4-pyridinyl)butanamide has a molecular weight of 207.28 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-(3-methyl-4-pyridinyl)butanamide is sourced from PubChem (CID 77004212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).