2-[[4-[(2-methylcyclopropyl)iminomethyl]-2-pyridinyl]methylamino]propanamide

C14H20N4O — CID 122461053

IUPAC2-[[4-[(2-methylcyclopropyl)iminomethyl]-2-pyridinyl]methylamino]propanamide
SMILESCC(NCc1cc(/C=N/C2CC2C)ccn1)C(N)=O
InChIInChI=1S/C14H20N4O/c1-9-5-13(9)18-7-11-3-4-16-12(6-11)8-17-10(2)14(15)19/h3-4,6-7,9-10,13,17H,5,8H2,1-2H3,(H2,15,19)/b18-7+
InChIKeyCZNHIIXTRTYUHT-CNHKJKLMSA-N
MW260.34 g/mol
LogP0.87
Rot. Bonds6

About 2-[[4-[(2-methylcyclopropyl)iminomethyl]-2-pyridinyl]methylamino]propanamide

2-[[4-[(2-methylcyclopropyl)iminomethyl]-2-pyridinyl]methylamino]propanamide (PubChem CID 122461053) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-[[4-[(2-methylcyclopropyl)iminomethyl]-2-pyridinyl]methylamino]propanamide.

Molecular Properties

Compound Name2-[[4-[(2-methylcyclopropyl)iminomethyl]-2-pyridinyl]methylamino]propanamide
PubChem CID122461053
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name2-[[4-[(2-methylcyclopropyl)iminomethyl]-2-pyridinyl]methylamino]propanamide
SMILESCC(NCc1cc(/C=N/C2CC2C)ccn1)C(N)=O
InChIInChI=1S/C14H20N4O/c1-9-5-13(9)18-7-11-3-4-16-12(6-11)8-17-10(2)14(15)19/h3-4,6-7,9-10,13,17H,5,8H2,1-2H3,(H2,15,19)/b18-7+
InChIKeyCZNHIIXTRTYUHT-CNHKJKLMSA-N
XLogP0.87
TPSA80.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(2-methylcyclopropyl)iminomethyl]-2-pyridinyl]methylamino]propanamide?
The IUPAC name of 2-[[4-[(2-methylcyclopropyl)iminomethyl]-2-pyridinyl]methylamino]propanamide (CID 122461053) is 2-[[4-[(2-methylcyclopropyl)iminomethyl]-2-pyridinyl]methylamino]propanamide.
What is the SMILES notation for 2-[[4-[(2-methylcyclopropyl)iminomethyl]-2-pyridinyl]methylamino]propanamide?
The canonical SMILES for 2-[[4-[(2-methylcyclopropyl)iminomethyl]-2-pyridinyl]methylamino]propanamide is CC(NCc1cc(/C=N/C2CC2C)ccn1)C(N)=O.
What is the InChIKey of 2-[[4-[(2-methylcyclopropyl)iminomethyl]-2-pyridinyl]methylamino]propanamide?
The InChIKey is CZNHIIXTRTYUHT-CNHKJKLMSA-N. The full InChI is InChI=1S/C14H20N4O/c1-9-5-13(9)18-7-11-3-4-16-12(6-11)8-17-10(2)14(15)19/h3-4,6-7,9-10,13,17H,5,8H2,1-2H3,(H2,15,19)/b18-7+.
What are the key properties of 2-[[4-[(2-methylcyclopropyl)iminomethyl]-2-pyridinyl]methylamino]propanamide?
2-[[4-[(2-methylcyclopropyl)iminomethyl]-2-pyridinyl]methylamino]propanamide has a molecular weight of 260.34 g/mol, XLogP of 0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(2-methylcyclopropyl)iminomethyl]-2-pyridinyl]methylamino]propanamide is sourced from PubChem (CID 122461053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).