2-amino-2-cyclopropyl-N-[(2-methoxy-4-pyridinyl)methyl]propanamide

C13H19N3O2 — CID 62997542

IUPAC2-amino-2-cyclopropyl-N-[(2-methoxy-4-pyridinyl)methyl]propanamide
SMILESCOc1cc(CNC(=O)C(C)(N)C2CC2)ccn1
InChIInChI=1S/C13H19N3O2/c1-13(14,10-3-4-10)12(17)16-8-9-5-6-15-11(7-9)18-2/h5-7,10H,3-4,8,14H2,1-2H3,(H,16,17)
InChIKeyBHABXWAIRCSSFO-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.83
Rot. Bonds5

About 2-amino-2-cyclopropyl-N-[(2-methoxy-4-pyridinyl)methyl]propanamide

2-amino-2-cyclopropyl-N-[(2-methoxy-4-pyridinyl)methyl]propanamide (PubChem CID 62997542) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-N-[(2-methoxy-4-pyridinyl)methyl]propanamide.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-N-[(2-methoxy-4-pyridinyl)methyl]propanamide
PubChem CID62997542
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-amino-2-cyclopropyl-N-[(2-methoxy-4-pyridinyl)methyl]propanamide
SMILESCOc1cc(CNC(=O)C(C)(N)C2CC2)ccn1
InChIInChI=1S/C13H19N3O2/c1-13(14,10-3-4-10)12(17)16-8-9-5-6-15-11(7-9)18-2/h5-7,10H,3-4,8,14H2,1-2H3,(H,16,17)
InChIKeyBHABXWAIRCSSFO-UHFFFAOYSA-N
XLogP0.83
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methoxy-4-pyridinyl)methyl]cyclopropanecarboxamide
CID 60715595
3-cyclopentyl-N-[(2-methoxy-4-pyridinyl)methyl]propanamide
CID 86919796
2-cyclopentyl-N-[(2-methoxy-4-pyridinyl)methyl]acetamide
CID 18167308
2-[(2-methoxy-4-pyridinyl)methylcarbamoylamino]-2-methylpropanoic acid
CID 55142287
2-cyano-N-[(2-methoxy-4-pyridinyl)methyl]-2-propylpentanamide
CID 62991409
N-[(2-methoxy-4-pyridinyl)methyl]-3-methylpyrrolidine-2-carboxamide
CID 102779392
1-cyclohexyl-1-ethyl-3-[(2-methoxy-4-pyridinyl)methyl]urea
CID 87003445
N-[(2-methoxy-4-pyridinyl)methyl]-2-methylpiperidine-4-carboxamide
CID 106739998
N-[(2-methoxy-4-pyridinyl)methyl]pyridine-4-carboxamide
CID 47142420
4-amino-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-2-carboxamide
CID 62991134
2-(3-amino-1,2,4-triazol-1-yl)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide
CID 62989300
N-cycloheptyl-2-[(2-methoxy-4-pyridinyl)methylamino]acetamide
CID 62989722

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-N-[(2-methoxy-4-pyridinyl)methyl]propanamide?
The IUPAC name of 2-amino-2-cyclopropyl-N-[(2-methoxy-4-pyridinyl)methyl]propanamide (CID 62997542) is 2-amino-2-cyclopropyl-N-[(2-methoxy-4-pyridinyl)methyl]propanamide.
What is the SMILES notation for 2-amino-2-cyclopropyl-N-[(2-methoxy-4-pyridinyl)methyl]propanamide?
The canonical SMILES for 2-amino-2-cyclopropyl-N-[(2-methoxy-4-pyridinyl)methyl]propanamide is COc1cc(CNC(=O)C(C)(N)C2CC2)ccn1.
What is the InChIKey of 2-amino-2-cyclopropyl-N-[(2-methoxy-4-pyridinyl)methyl]propanamide?
The InChIKey is BHABXWAIRCSSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-13(14,10-3-4-10)12(17)16-8-9-5-6-15-11(7-9)18-2/h5-7,10H,3-4,8,14H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-2-cyclopropyl-N-[(2-methoxy-4-pyridinyl)methyl]propanamide?
2-amino-2-cyclopropyl-N-[(2-methoxy-4-pyridinyl)methyl]propanamide has a molecular weight of 249.31 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-N-[(2-methoxy-4-pyridinyl)methyl]propanamide is sourced from PubChem (CID 62997542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).