2-[(2-methoxy-4-pyridinyl)methylamino]-N-propan-2-ylacetamide

C12H19N3O2 — CID 62990968

IUPAC2-[(2-methoxy-4-pyridinyl)methylamino]-N-propan-2-ylacetamide
SMILESCOc1cc(CNCC(=O)NC(C)C)ccn1
InChIInChI=1S/C12H19N3O2/c1-9(2)15-11(16)8-13-7-10-4-5-14-12(6-10)17-3/h4-6,9,13H,7-8H2,1-3H3,(H,15,16)
InChIKeyUELYOTZDBBKDNS-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.70
Rot. Bonds6

About 2-[(2-methoxy-4-pyridinyl)methylamino]-N-propan-2-ylacetamide

2-[(2-methoxy-4-pyridinyl)methylamino]-N-propan-2-ylacetamide (PubChem CID 62990968) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-[(2-methoxy-4-pyridinyl)methylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(2-methoxy-4-pyridinyl)methylamino]-N-propan-2-ylacetamide
PubChem CID62990968
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-[(2-methoxy-4-pyridinyl)methylamino]-N-propan-2-ylacetamide
SMILESCOc1cc(CNCC(=O)NC(C)C)ccn1
InChIInChI=1S/C12H19N3O2/c1-9(2)15-11(16)8-13-7-10-4-5-14-12(6-10)17-3/h4-6,9,13H,7-8H2,1-3H3,(H,15,16)
InChIKeyUELYOTZDBBKDNS-UHFFFAOYSA-N
XLogP0.70
TPSA63.25 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 ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methoxy-4-pyridinyl)methylamino]-N-pentan-2-ylacetamide
CID 62989363
2-[(2-methoxy-4-pyridinyl)methylamino]-1-piperidin-1-ylethanone
CID 62990090
N-cycloheptyl-2-[(2-methoxy-4-pyridinyl)methylamino]acetamide
CID 62989722
N,N-diethyl-2-[(2-methoxy-4-pyridinyl)methylamino]acetamide
CID 55141134
methyl 5-[1-[(2-methoxy-4-pyridinyl)methylamino]ethyl]furan-2-carboxylate
CID 103250198
N-[(2-methoxy-4-pyridinyl)methyl]-2-(propylamino)acetamide
CID 62995403
N'-hydroxy-2-[(2-methoxy-4-pyridinyl)methylamino]ethanimidamide
CID 77032863
3-[(2-methoxy-4-pyridinyl)methylcarbamoyl-propan-2-ylamino]propanoic acid
CID 62992810
4-amino-N-[(2-methoxy-4-pyridinyl)methyl]-3-methylbutanamide
CID 81080753
2-cyclopentyl-N-[(2-methoxy-4-pyridinyl)methyl]acetamide
CID 18167308
N-cyclohexyl-2-[(2-methoxy-4-pyridinyl)methylamino]propanamide
CID 62990615
3-[(2-methoxy-4-pyridinyl)methylamino]-N,N-dimethylpropanamide
CID 62989370

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-4-pyridinyl)methylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(2-methoxy-4-pyridinyl)methylamino]-N-propan-2-ylacetamide (CID 62990968) is 2-[(2-methoxy-4-pyridinyl)methylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(2-methoxy-4-pyridinyl)methylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(2-methoxy-4-pyridinyl)methylamino]-N-propan-2-ylacetamide is COc1cc(CNCC(=O)NC(C)C)ccn1.
What is the InChIKey of 2-[(2-methoxy-4-pyridinyl)methylamino]-N-propan-2-ylacetamide?
The InChIKey is UELYOTZDBBKDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9(2)15-11(16)8-13-7-10-4-5-14-12(6-10)17-3/h4-6,9,13H,7-8H2,1-3H3,(H,15,16).
What are the key properties of 2-[(2-methoxy-4-pyridinyl)methylamino]-N-propan-2-ylacetamide?
2-[(2-methoxy-4-pyridinyl)methylamino]-N-propan-2-ylacetamide has a molecular weight of 237.30 g/mol, XLogP of 0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-4-pyridinyl)methylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 62990968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).