4-amino-N-(6-ethoxy-3-pyridinyl)-3-methylbutanamide

C12H19N3O2 — CID 81080925

IUPAC4-amino-N-(6-ethoxy-3-pyridinyl)-3-methylbutanamide
SMILESCCOc1ccc(NC(=O)CC(C)CN)cn1
InChIInChI=1S/C12H19N3O2/c1-3-17-12-5-4-10(8-14-12)15-11(16)6-9(2)7-13/h4-5,8-9H,3,6-7,13H2,1-2H3,(H,15,16)
InChIKeyPMGPPKARHORQRZ-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.40
Rot. Bonds6

About 4-amino-N-(6-ethoxy-3-pyridinyl)-3-methylbutanamide

4-amino-N-(6-ethoxy-3-pyridinyl)-3-methylbutanamide (PubChem CID 81080925) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-amino-N-(6-ethoxy-3-pyridinyl)-3-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-(6-ethoxy-3-pyridinyl)-3-methylbutanamide
PubChem CID81080925
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name4-amino-N-(6-ethoxy-3-pyridinyl)-3-methylbutanamide
SMILESCCOc1ccc(NC(=O)CC(C)CN)cn1
InChIInChI=1S/C12H19N3O2/c1-3-17-12-5-4-10(8-14-12)15-11(16)6-9(2)7-13/h4-5,8-9H,3,6-7,13H2,1-2H3,(H,15,16)
InChIKeyPMGPPKARHORQRZ-UHFFFAOYSA-N
XLogP1.40
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[6-(diethylamino)-3-pyridinyl]-3-methylbutanamide
CID 81076308
5-amino-N-(6-ethoxy-3-pyridinyl)hexanamide
CID 82852458
4-amino-3-methyl-N-(6-methylsulfonyl-3-pyridinyl)butanamide
CID 81075258
4-amino-3-methyl-N-[4-(3-methylbutanoylamino)phenyl]butanamide
CID 81084171
4-amino-N-(4-ethylphenyl)-3-methylbutanamide
CID 81071859
4-amino-3-methyl-N-pyridin-3-ylbutanamide
CID 81070233
(2S)-2-amino-N-(6-ethoxy-3-pyridinyl)pentanamide
CID 107570145
(2R)-2-amino-N-(6-ethoxy-3-pyridinyl)-3,3-dimethylbutanamide
CID 113353541
N-(6-ethoxy-3-pyridinyl)-3-piperidin-3-ylbutanamide
CID 81049622
2-ethoxy-N-(6-ethoxy-3-pyridinyl)-4-methyl-2-(2-methylpropyl)pentanamide
CID 100776520
2-[1-[(6-ethoxy-3-pyridinyl)carbamoyl]azetidin-3-yl]propanoic acid
CID 116683489
4-amino-3-methyl-N-(2-methyl-4-pyridinyl)butanamide
CID 81079755

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(6-ethoxy-3-pyridinyl)-3-methylbutanamide?
The IUPAC name of 4-amino-N-(6-ethoxy-3-pyridinyl)-3-methylbutanamide (CID 81080925) is 4-amino-N-(6-ethoxy-3-pyridinyl)-3-methylbutanamide.
What is the SMILES notation for 4-amino-N-(6-ethoxy-3-pyridinyl)-3-methylbutanamide?
The canonical SMILES for 4-amino-N-(6-ethoxy-3-pyridinyl)-3-methylbutanamide is CCOc1ccc(NC(=O)CC(C)CN)cn1.
What is the InChIKey of 4-amino-N-(6-ethoxy-3-pyridinyl)-3-methylbutanamide?
The InChIKey is PMGPPKARHORQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-3-17-12-5-4-10(8-14-12)15-11(16)6-9(2)7-13/h4-5,8-9H,3,6-7,13H2,1-2H3,(H,15,16).
What are the key properties of 4-amino-N-(6-ethoxy-3-pyridinyl)-3-methylbutanamide?
4-amino-N-(6-ethoxy-3-pyridinyl)-3-methylbutanamide has a molecular weight of 237.30 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(6-ethoxy-3-pyridinyl)-3-methylbutanamide is sourced from PubChem (CID 81080925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).