N-cyclopropyl-3-[(6-methoxy-3-pyridinyl)methylamino]propanamide

C13H19N3O2 — CID 55141324

IUPACN-cyclopropyl-3-[(6-methoxy-3-pyridinyl)methylamino]propanamide
SMILESCOc1ccc(CNCCC(=O)NC2CC2)cn1
InChIInChI=1S/C13H19N3O2/c1-18-13-5-2-10(9-15-13)8-14-7-6-12(17)16-11-3-4-11/h2,5,9,11,14H,3-4,6-8H2,1H3,(H,16,17)
InChIKeyIGTGIQAMXDXIFD-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.85
Rot. Bonds7

About N-cyclopropyl-3-[(6-methoxy-3-pyridinyl)methylamino]propanamide

N-cyclopropyl-3-[(6-methoxy-3-pyridinyl)methylamino]propanamide (PubChem CID 55141324) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-cyclopropyl-3-[(6-methoxy-3-pyridinyl)methylamino]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[(6-methoxy-3-pyridinyl)methylamino]propanamide
PubChem CID55141324
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-cyclopropyl-3-[(6-methoxy-3-pyridinyl)methylamino]propanamide
SMILESCOc1ccc(CNCCC(=O)NC2CC2)cn1
InChIInChI=1S/C13H19N3O2/c1-18-13-5-2-10(9-15-13)8-14-7-6-12(17)16-11-3-4-11/h2,5,9,11,14H,3-4,6-8H2,1H3,(H,16,17)
InChIKeyIGTGIQAMXDXIFD-UHFFFAOYSA-N
XLogP0.85
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(6-methoxy-3-pyridinyl)methylamino]-N-(oxan-4-yl)acetamide
CID 63097814
N-cyclopropyl-3-[(4-methylphenyl)methylamino]propanamide
CID 55090993
ethyl 3-[(6-methoxy-3-pyridinyl)methylamino]propanoate
CID 62989927
3-[(3-bromo-4-methoxyphenyl)methylamino]-N-cyclopropylpropanamide
CID 78977857
N-cyclopropyl-3-[(2-methoxy-3-pyridinyl)methylamino]propanamide
CID 62627188
N-cyclopropyl-3-[(4,6-dimethoxypyrimidin-5-yl)methylamino]propanamide
CID 79386217
N-cyclopentyl-3-[(4-fluorophenyl)methylamino]propanamide
CID 109013440
2-cyclopentyloxy-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 114936757
N-ethyl-2-[(6-methoxy-3-pyridinyl)methylamino]acetamide
CID 62990480
3-(cyclopropylmethoxy)-N-[(6-methoxy-3-pyridinyl)methyl]propan-1-amine
CID 114936367
N-cyclopropyl-3-[(4-nitrophenyl)methylamino]propanamide
CID 62316575
N-cyclopropyl-3-(2,3-dihydro-1H-inden-5-ylmethylamino)propanamide
CID 79036237

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[(6-methoxy-3-pyridinyl)methylamino]propanamide?
The IUPAC name of N-cyclopropyl-3-[(6-methoxy-3-pyridinyl)methylamino]propanamide (CID 55141324) is N-cyclopropyl-3-[(6-methoxy-3-pyridinyl)methylamino]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[(6-methoxy-3-pyridinyl)methylamino]propanamide?
The canonical SMILES for N-cyclopropyl-3-[(6-methoxy-3-pyridinyl)methylamino]propanamide is COc1ccc(CNCCC(=O)NC2CC2)cn1.
What is the InChIKey of N-cyclopropyl-3-[(6-methoxy-3-pyridinyl)methylamino]propanamide?
The InChIKey is IGTGIQAMXDXIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-18-13-5-2-10(9-15-13)8-14-7-6-12(17)16-11-3-4-11/h2,5,9,11,14H,3-4,6-8H2,1H3,(H,16,17).
What are the key properties of N-cyclopropyl-3-[(6-methoxy-3-pyridinyl)methylamino]propanamide?
N-cyclopropyl-3-[(6-methoxy-3-pyridinyl)methylamino]propanamide has a molecular weight of 249.31 g/mol, XLogP of 0.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[(6-methoxy-3-pyridinyl)methylamino]propanamide is sourced from PubChem (CID 55141324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).