N-[[5-[(3-cyclopropylimidazol-4-yl)methoxy]-2-pyridinyl]methyl]propan-1-amine

C16H22N4O — CID 79782688

IUPACN-[[5-[(3-cyclopropylimidazol-4-yl)methoxy]-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(OCc2cncn2C2CC2)cn1
InChIInChI=1S/C16H22N4O/c1-2-7-17-8-13-3-6-16(10-19-13)21-11-15-9-18-12-20(15)14-4-5-14/h3,6,9-10,12,14,17H,2,4-5,7-8,11H2,1H3
InChIKeyKNGAGEOJEHWEKI-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.69
Rot. Bonds8

About N-[[5-[(3-cyclopropylimidazol-4-yl)methoxy]-2-pyridinyl]methyl]propan-1-amine

N-[[5-[(3-cyclopropylimidazol-4-yl)methoxy]-2-pyridinyl]methyl]propan-1-amine (PubChem CID 79782688) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[[5-[(3-cyclopropylimidazol-4-yl)methoxy]-2-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-[(3-cyclopropylimidazol-4-yl)methoxy]-2-pyridinyl]methyl]propan-1-amine
PubChem CID79782688
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-[[5-[(3-cyclopropylimidazol-4-yl)methoxy]-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(OCc2cncn2C2CC2)cn1
InChIInChI=1S/C16H22N4O/c1-2-7-17-8-13-3-6-16(10-19-13)21-11-15-9-18-12-20(15)14-4-5-14/h3,6,9-10,12,14,17H,2,4-5,7-8,11H2,1H3
InChIKeyKNGAGEOJEHWEKI-UHFFFAOYSA-N
XLogP2.69
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[[5-[(3-cyclopropylimidazol-4-yl)methoxy]-2-pyridinyl]methyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[5-[(3-propan-2-ylimidazol-4-yl)methoxy]-2-pyridinyl]methyl]propan-1-amine
CID 79781690
4-[(3-cyclopropylimidazol-4-yl)methoxy]aniline
CID 66152915
N-[[4-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]methyl]cyclopropanamine
CID 66154634
N-[[5-(pyrimidin-2-ylmethoxy)-2-pyridinyl]methyl]propan-1-amine
CID 79783997
N-[[5-(3,4-dimethylcyclohexyl)oxy-2-pyridinyl]methyl]propan-1-amine
CID 79781294
N-[[5-(pyridin-2-ylmethoxy)-2-pyridinyl]methyl]propan-1-amine
CID 79781849
N-[[5-[(1-methylimidazol-2-yl)methoxy]-2-pyridinyl]methyl]propan-1-amine
CID 79781688
2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]ethanol
CID 79782983
N-[[5-[(5-bromo-3-pyridinyl)methoxy]-2-pyridinyl]methyl]propan-1-amine
CID 104796391
N-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]methyl]propan-1-amine
CID 79782675
N-[[5-(2-chloroprop-2-enoxy)-2-pyridinyl]methyl]propan-1-amine
CID 79783377
N-[[5-[(3,4-dichlorophenyl)methoxy]-2-pyridinyl]methyl]propan-1-amine
CID 79781676

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(3-cyclopropylimidazol-4-yl)methoxy]-2-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[5-[(3-cyclopropylimidazol-4-yl)methoxy]-2-pyridinyl]methyl]propan-1-amine (CID 79782688) is N-[[5-[(3-cyclopropylimidazol-4-yl)methoxy]-2-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-[(3-cyclopropylimidazol-4-yl)methoxy]-2-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-[(3-cyclopropylimidazol-4-yl)methoxy]-2-pyridinyl]methyl]propan-1-amine is CCCNCc1ccc(OCc2cncn2C2CC2)cn1.
What is the InChIKey of N-[[5-[(3-cyclopropylimidazol-4-yl)methoxy]-2-pyridinyl]methyl]propan-1-amine?
The InChIKey is KNGAGEOJEHWEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-2-7-17-8-13-3-6-16(10-19-13)21-11-15-9-18-12-20(15)14-4-5-14/h3,6,9-10,12,14,17H,2,4-5,7-8,11H2,1H3.
What are the key properties of N-[[5-[(3-cyclopropylimidazol-4-yl)methoxy]-2-pyridinyl]methyl]propan-1-amine?
N-[[5-[(3-cyclopropylimidazol-4-yl)methoxy]-2-pyridinyl]methyl]propan-1-amine has a molecular weight of 286.38 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(3-cyclopropylimidazol-4-yl)methoxy]-2-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 79782688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).