N-[(2-pyridin-3-yloxy-3-pyridinyl)methyl]propan-1-amine

C14H17N3O — CID 62296510

IUPACN-[(2-pyridin-3-yloxy-3-pyridinyl)methyl]propan-1-amine
SMILESCCCNCc1cccnc1Oc1cccnc1
InChIInChI=1S/C14H17N3O/c1-2-7-15-10-12-5-3-9-17-14(12)18-13-6-4-8-16-11-13/h3-6,8-9,11,15H,2,7,10H2,1H3
InChIKeyWHVQYNBFHGLGCM-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.77
Rot. Bonds6

About N-[(2-pyridin-3-yloxy-3-pyridinyl)methyl]propan-1-amine

N-[(2-pyridin-3-yloxy-3-pyridinyl)methyl]propan-1-amine (PubChem CID 62296510) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-[(2-pyridin-3-yloxy-3-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-pyridin-3-yloxy-3-pyridinyl)methyl]propan-1-amine
PubChem CID62296510
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-[(2-pyridin-3-yloxy-3-pyridinyl)methyl]propan-1-amine
SMILESCCCNCc1cccnc1Oc1cccnc1
InChIInChI=1S/C14H17N3O/c1-2-7-15-10-12-5-3-9-17-14(12)18-13-6-4-8-16-11-13/h3-6,8-9,11,15H,2,7,10H2,1H3
InChIKeyWHVQYNBFHGLGCM-UHFFFAOYSA-N
XLogP2.77
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(2-pyridin-3-yloxy-3-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-[(2-phenoxy-3-pyridinyl)methyl]propan-1-amine
CID 62295599
N-[[2-(1-propan-2-ylpyrazol-4-yl)oxy-3-pyridinyl]methyl]propan-1-amine
CID 116803075
N-[[2-(4-bromo-3-fluorophenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 65201336
N-[[2-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62296784
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine
CID 61373669
3-(chloromethyl)-2-pyridin-3-yloxypyridine
CID 61268783
N-[(2-heptoxy-3-pyridinyl)methyl]propan-1-amine
CID 63490010
N-[[2-(2-propoxyethoxy)-3-pyridinyl]methyl]propan-1-amine
CID 63685132
N-[[2-(cyclopropylmethoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62292023
N-[[2-(4-bromo-2,5-dichlorophenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 107660753
N-[(1-pyridin-3-yloxyisoquinolin-4-yl)methyl]ethanamine
CID 106777370
N-[[2-(3,4-dimethylphenoxy)-3-pyridinyl]methyl]ethanamine
CID 62297843

Frequently Asked Questions

What is the IUPAC name of N-[(2-pyridin-3-yloxy-3-pyridinyl)methyl]propan-1-amine?
The IUPAC name of N-[(2-pyridin-3-yloxy-3-pyridinyl)methyl]propan-1-amine (CID 62296510) is N-[(2-pyridin-3-yloxy-3-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-pyridin-3-yloxy-3-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-pyridin-3-yloxy-3-pyridinyl)methyl]propan-1-amine is CCCNCc1cccnc1Oc1cccnc1.
What is the InChIKey of N-[(2-pyridin-3-yloxy-3-pyridinyl)methyl]propan-1-amine?
The InChIKey is WHVQYNBFHGLGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-2-7-15-10-12-5-3-9-17-14(12)18-13-6-4-8-16-11-13/h3-6,8-9,11,15H,2,7,10H2,1H3.
What are the key properties of N-[(2-pyridin-3-yloxy-3-pyridinyl)methyl]propan-1-amine?
N-[(2-pyridin-3-yloxy-3-pyridinyl)methyl]propan-1-amine has a molecular weight of 243.31 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-pyridin-3-yloxy-3-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 62296510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).