2-amino-2-ethyl-N-(5-methyl-3-pyridinyl)butanamide

C12H19N3O — CID 107585461

IUPAC2-amino-2-ethyl-N-(5-methyl-3-pyridinyl)butanamide
SMILESCCC(N)(CC)C(=O)Nc1cncc(C)c1
InChIInChI=1S/C12H19N3O/c1-4-12(13,5-2)11(16)15-10-6-9(3)7-14-8-10/h6-8H,4-5,13H2,1-3H3,(H,15,16)
InChIKeyUHJOVTIRRSABPC-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.85
Rot. Bonds4

About 2-amino-2-ethyl-N-(5-methyl-3-pyridinyl)butanamide

2-amino-2-ethyl-N-(5-methyl-3-pyridinyl)butanamide (PubChem CID 107585461) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-amino-2-ethyl-N-(5-methyl-3-pyridinyl)butanamide.

Molecular Properties

Compound Name2-amino-2-ethyl-N-(5-methyl-3-pyridinyl)butanamide
PubChem CID107585461
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-amino-2-ethyl-N-(5-methyl-3-pyridinyl)butanamide
SMILESCCC(N)(CC)C(=O)Nc1cncc(C)c1
InChIInChI=1S/C12H19N3O/c1-4-12(13,5-2)11(16)15-10-6-9(3)7-14-8-10/h6-8H,4-5,13H2,1-3H3,(H,15,16)
InChIKeyUHJOVTIRRSABPC-UHFFFAOYSA-N
XLogP1.85
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methoxy-3-(5-methyl-3-pyridinyl)urea
CID 131084336
(2S)-2-amino-3-methyl-N-(5-methyl-3-pyridinyl)butanamide;dihydrochloride
CID 119884719
(2S)-2-[(5-methyl-3-pyridinyl)carbamoylamino]butanoic acid
CID 107586158
2-methoxy-N-(5-methyl-3-pyridinyl)acetamide
CID 103738953
2-amino-2-ethyl-N-(1,2-oxazol-4-yl)butanamide
CID 79815107
2-amino-N-(5-methyl-3-pyridinyl)pent-4-ynamide
CID 107585441
1-butyl-3-(5-methyl-3-pyridinyl)urea
CID 103739077
2-amino-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-ethylbutanamide
CID 79809258
2-methyl-N-(5-methyl-3-pyridinyl)-2-piperazin-1-ylpropanamide
CID 103814539
2-[(5-methyl-3-pyridinyl)carbamoylamino]acetic acid
CID 107265694
2-amino-N-(5-methyl-3-pyridinyl)butanediamide
CID 103827807
1-(5-methyl-3-pyridinyl)-3-phenylurea
CID 110748489

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-ethyl-N-(5-methyl-3-pyridinyl)butanamide?
The IUPAC name of 2-amino-2-ethyl-N-(5-methyl-3-pyridinyl)butanamide (CID 107585461) is 2-amino-2-ethyl-N-(5-methyl-3-pyridinyl)butanamide.
What is the SMILES notation for 2-amino-2-ethyl-N-(5-methyl-3-pyridinyl)butanamide?
The canonical SMILES for 2-amino-2-ethyl-N-(5-methyl-3-pyridinyl)butanamide is CCC(N)(CC)C(=O)Nc1cncc(C)c1.
What is the InChIKey of 2-amino-2-ethyl-N-(5-methyl-3-pyridinyl)butanamide?
The InChIKey is UHJOVTIRRSABPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-4-12(13,5-2)11(16)15-10-6-9(3)7-14-8-10/h6-8H,4-5,13H2,1-3H3,(H,15,16).
What are the key properties of 2-amino-2-ethyl-N-(5-methyl-3-pyridinyl)butanamide?
2-amino-2-ethyl-N-(5-methyl-3-pyridinyl)butanamide has a molecular weight of 221.30 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-ethyl-N-(5-methyl-3-pyridinyl)butanamide is sourced from PubChem (CID 107585461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).