N-cyclopropyl-3-[(2-methoxy-3-pyridinyl)methylamino]propanamide

C13H19N3O2 — CID 62627188

IUPACN-cyclopropyl-3-[(2-methoxy-3-pyridinyl)methylamino]propanamide
SMILESCOc1ncccc1CNCCC(=O)NC1CC1
InChIInChI=1S/C13H19N3O2/c1-18-13-10(3-2-7-15-13)9-14-8-6-12(17)16-11-4-5-11/h2-3,7,11,14H,4-6,8-9H2,1H3,(H,16,17)
InChIKeyPCDKBRGPIULTSU-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.85
Rot. Bonds7

About N-cyclopropyl-3-[(2-methoxy-3-pyridinyl)methylamino]propanamide

N-cyclopropyl-3-[(2-methoxy-3-pyridinyl)methylamino]propanamide (PubChem CID 62627188) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-cyclopropyl-3-[(2-methoxy-3-pyridinyl)methylamino]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[(2-methoxy-3-pyridinyl)methylamino]propanamide
PubChem CID62627188
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-cyclopropyl-3-[(2-methoxy-3-pyridinyl)methylamino]propanamide
SMILESCOc1ncccc1CNCCC(=O)NC1CC1
InChIInChI=1S/C13H19N3O2/c1-18-13-10(3-2-7-15-13)9-14-8-6-12(17)16-11-4-5-11/h2-3,7,11,14H,4-6,8-9H2,1H3,(H,16,17)
InChIKeyPCDKBRGPIULTSU-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

4-[(2-methoxy-3-pyridinyl)methylamino]butanoic acid
CID 60859167
N-cyclopropyl-3-[(4,6-dimethoxypyrimidin-5-yl)methylamino]propanamide
CID 79386217
N-[(2-methoxy-3-pyridinyl)methyl]cyclopropanamine
CID 62292464
N-cyclopropyl-3-[(6-methoxy-3-pyridinyl)methylamino]propanamide
CID 55141324
1-[4-[(2-methoxy-3-pyridinyl)methylamino]piperidin-1-yl]ethanone
CID 60762093
2-[2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]phenyl]acetic acid
CID 115461656
N-cyclopentyl-3-[(2-fluorophenyl)methylamino]propanamide
CID 109013439
2-[[[3-(cyclopropylamino)-3-oxopropyl]amino]methyl]benzamide
CID 79395029
N-[(2-methoxy-3-pyridinyl)methyl]-4-methylcyclohexan-1-amine
CID 54926984
N-cycloheptyl-3-[(2-fluorophenyl)methylamino]propanamide
CID 109020883
N'-[(2-methoxy-3-pyridinyl)methyl]propane-1,3-diamine
CID 21271684
N-[(2-methoxy-3-pyridinyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 114515582

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[(2-methoxy-3-pyridinyl)methylamino]propanamide?
The IUPAC name of N-cyclopropyl-3-[(2-methoxy-3-pyridinyl)methylamino]propanamide (CID 62627188) is N-cyclopropyl-3-[(2-methoxy-3-pyridinyl)methylamino]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[(2-methoxy-3-pyridinyl)methylamino]propanamide?
The canonical SMILES for N-cyclopropyl-3-[(2-methoxy-3-pyridinyl)methylamino]propanamide is COc1ncccc1CNCCC(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-3-[(2-methoxy-3-pyridinyl)methylamino]propanamide?
The InChIKey is PCDKBRGPIULTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-18-13-10(3-2-7-15-13)9-14-8-6-12(17)16-11-4-5-11/h2-3,7,11,14H,4-6,8-9H2,1H3,(H,16,17).
What are the key properties of N-cyclopropyl-3-[(2-methoxy-3-pyridinyl)methylamino]propanamide?
N-cyclopropyl-3-[(2-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-[(2-methoxy-3-pyridinyl)methylamino]propanamide is sourced from PubChem (CID 62627188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).