4-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-3-methylbutanamide

C12H19N3O2 — CID 81075529

IUPAC4-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-3-methylbutanamide
SMILESCCn1cc(NC(=O)CC(C)CN)ccc1=O
InChIInChI=1S/C12H19N3O2/c1-3-15-8-10(4-5-12(15)17)14-11(16)6-9(2)7-13/h4-5,8-9H,3,6-7,13H2,1-2H3,(H,14,16)
InChIKeyCWXKSJLTXYMYCA-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.79
Rot. Bonds5

About 4-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-3-methylbutanamide

4-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-3-methylbutanamide (PubChem CID 81075529) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-3-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-3-methylbutanamide
PubChem CID81075529
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name4-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-3-methylbutanamide
SMILESCCn1cc(NC(=O)CC(C)CN)ccc1=O
InChIInChI=1S/C12H19N3O2/c1-3-15-8-10(4-5-12(15)17)14-11(16)6-9(2)7-13/h4-5,8-9H,3,6-7,13H2,1-2H3,(H,14,16)
InChIKeyCWXKSJLTXYMYCA-UHFFFAOYSA-N
XLogP0.79
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-methyl-N-(6-oxo-1-propyl-3-pyridinyl)butanamide
CID 81075823
2-bromo-N-(1-ethyl-6-oxo-3-pyridinyl)acetamide
CID 63680648
4-amino-3-methyl-N-[4-(3-methylbutanoylamino)phenyl]butanamide
CID 81084171
4-amino-N-(4-ethylphenyl)-3-methylbutanamide
CID 81071859
N-(1-ethyl-6-oxo-3-pyridinyl)-4-(propan-2-ylamino)butanamide
CID 54862576
2-(aminomethyl)-N-(1-ethyl-6-oxo-3-pyridinyl)-4,4-dimethylpentanamide
CID 107471465
3-(2-aminoethoxy)-N-(1-ethyl-6-oxo-3-pyridinyl)propanamide
CID 112738988
(2S)-2-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-3-methylpentanamide
CID 61172675
4-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)butanamide
CID 63307672
3-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-2-phenylpropanamide;hydrochloride
CID 119723753
4-amino-3-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)butanamide
CID 115156250
4-amino-N-(4-cyanophenyl)-3-methylbutanamide
CID 81070999

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-3-methylbutanamide?
The IUPAC name of 4-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-3-methylbutanamide (CID 81075529) is 4-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-3-methylbutanamide.
What is the SMILES notation for 4-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-3-methylbutanamide?
The canonical SMILES for 4-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-3-methylbutanamide is CCn1cc(NC(=O)CC(C)CN)ccc1=O.
What is the InChIKey of 4-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-3-methylbutanamide?
The InChIKey is CWXKSJLTXYMYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-3-15-8-10(4-5-12(15)17)14-11(16)6-9(2)7-13/h4-5,8-9H,3,6-7,13H2,1-2H3,(H,14,16).
What are the key properties of 4-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-3-methylbutanamide?
4-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-3-methylbutanamide has a molecular weight of 237.30 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-3-methylbutanamide is sourced from PubChem (CID 81075529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).