4-amino-N-[(2-methoxy-4-pyridinyl)methyl]-3-methylbutanamide

C12H19N3O2 — CID 81080753

IUPAC4-amino-N-[(2-methoxy-4-pyridinyl)methyl]-3-methylbutanamide
SMILESCOc1cc(CNC(=O)CC(C)CN)ccn1
InChIInChI=1S/C12H19N3O2/c1-9(7-13)5-11(16)15-8-10-3-4-14-12(6-10)17-2/h3-4,6,9H,5,7-8,13H2,1-2H3,(H,15,16)
InChIKeyYTGVUJATZVIKMI-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.69
Rot. Bonds6

About 4-amino-N-[(2-methoxy-4-pyridinyl)methyl]-3-methylbutanamide

4-amino-N-[(2-methoxy-4-pyridinyl)methyl]-3-methylbutanamide (PubChem CID 81080753) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-amino-N-[(2-methoxy-4-pyridinyl)methyl]-3-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-[(2-methoxy-4-pyridinyl)methyl]-3-methylbutanamide
PubChem CID81080753
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name4-amino-N-[(2-methoxy-4-pyridinyl)methyl]-3-methylbutanamide
SMILESCOc1cc(CNC(=O)CC(C)CN)ccn1
InChIInChI=1S/C12H19N3O2/c1-9(7-13)5-11(16)15-8-10-3-4-14-12(6-10)17-2/h3-4,6,9H,5,7-8,13H2,1-2H3,(H,15,16)
InChIKeyYTGVUJATZVIKMI-UHFFFAOYSA-N
XLogP0.69
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 ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-amino-N-[(2-methoxy-4-pyridinyl)methyl]-3-methylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-N-[(2-methoxy-4-pyridinyl)methyl]-4-methylpentanamide
CID 82012306
3-(aminomethyl)-N-[(2-methoxy-4-pyridinyl)methyl]pentanamide
CID 81080635
5-chloro-N-[(2-methoxy-4-pyridinyl)methyl]pentanamide
CID 62994356
2-(4-methoxyphenoxy)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide
CID 47019682
N-[(2-methoxy-4-pyridinyl)methyl]-2-(propylamino)acetamide
CID 62995403
N-[(2-methoxy-4-pyridinyl)methyl]-3-phenylpropanamide
CID 18167302
2-(3-amino-1,2,4-triazol-1-yl)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide
CID 62989300
2-[(2-methoxy-4-pyridinyl)methylamino]-N-propan-2-ylacetamide
CID 62990968
3-(4-methoxyphenyl)-N-[(2-methoxy-4-pyridinyl)methyl]propanamide
CID 18167253
N-[(2-methoxy-4-pyridinyl)methyl]-3-(3-methyldiazirin-3-yl)propanamide
CID 172903796
2-cyclopentyl-N-[(2-methoxy-4-pyridinyl)methyl]acetamide
CID 18167308
(2S)-2-amino-N-[(2-methoxy-4-pyridinyl)methyl]pentanamide
CID 107569644

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2-methoxy-4-pyridinyl)methyl]-3-methylbutanamide?
The IUPAC name of 4-amino-N-[(2-methoxy-4-pyridinyl)methyl]-3-methylbutanamide (CID 81080753) is 4-amino-N-[(2-methoxy-4-pyridinyl)methyl]-3-methylbutanamide.
What is the SMILES notation for 4-amino-N-[(2-methoxy-4-pyridinyl)methyl]-3-methylbutanamide?
The canonical SMILES for 4-amino-N-[(2-methoxy-4-pyridinyl)methyl]-3-methylbutanamide is COc1cc(CNC(=O)CC(C)CN)ccn1.
What is the InChIKey of 4-amino-N-[(2-methoxy-4-pyridinyl)methyl]-3-methylbutanamide?
The InChIKey is YTGVUJATZVIKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9(7-13)5-11(16)15-8-10-3-4-14-12(6-10)17-2/h3-4,6,9H,5,7-8,13H2,1-2H3,(H,15,16).
What are the key properties of 4-amino-N-[(2-methoxy-4-pyridinyl)methyl]-3-methylbutanamide?
4-amino-N-[(2-methoxy-4-pyridinyl)methyl]-3-methylbutanamide has a molecular weight of 237.30 g/mol, XLogP of 0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2-methoxy-4-pyridinyl)methyl]-3-methylbutanamide is sourced from PubChem (CID 81080753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).