N-[[6-methyl-4-(1-methylpyrazol-4-yl)oxy-3-pyridinyl]methyl]propan-1-amine

C14H20N4O — CID 116793446

IUPACN-[[6-methyl-4-(1-methylpyrazol-4-yl)oxy-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cnc(C)cc1Oc1cnn(C)c1
InChIInChI=1S/C14H20N4O/c1-4-5-15-7-12-8-16-11(2)6-14(12)19-13-9-17-18(3)10-13/h6,8-10,15H,4-5,7H2,1-3H3
InChIKeyYUFUJGLUEFLRFN-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.42
Rot. Bonds6

About N-[[6-methyl-4-(1-methylpyrazol-4-yl)oxy-3-pyridinyl]methyl]propan-1-amine

N-[[6-methyl-4-(1-methylpyrazol-4-yl)oxy-3-pyridinyl]methyl]propan-1-amine (PubChem CID 116793446) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[[6-methyl-4-(1-methylpyrazol-4-yl)oxy-3-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[6-methyl-4-(1-methylpyrazol-4-yl)oxy-3-pyridinyl]methyl]propan-1-amine
PubChem CID116793446
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC NameN-[[6-methyl-4-(1-methylpyrazol-4-yl)oxy-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cnc(C)cc1Oc1cnn(C)c1
InChIInChI=1S/C14H20N4O/c1-4-5-15-7-12-8-16-11(2)6-14(12)19-13-9-17-18(3)10-13/h6,8-10,15H,4-5,7H2,1-3H3
InChIKeyYUFUJGLUEFLRFN-UHFFFAOYSA-N
XLogP2.42
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-bromo-2-(1-methylpyrazol-4-yl)oxyphenyl]methyl]propan-1-amine
CID 116793140
N-[[4-(3,4-dimethylphenoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine
CID 81254541
N-[[4-(4-fluorophenoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine
CID 81250354
N-[(4-cyclopentyloxy-6-methyl-3-pyridinyl)methyl]propan-1-amine
CID 81255109
N-[[4-(4-chloro-3-fluorophenoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine
CID 82718571
N-[[4-(2-methoxyethoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine
CID 81254724
N-[[4-(2,4-difluorophenoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine
CID 81253176
N-[[4-(2-chloro-4-methylphenoxy)-6-methyl-3-pyridinyl]methyl]propan-1-amine
CID 81253896
N-[[6-methyl-4-(3-methylbutoxy)-3-pyridinyl]methyl]propan-1-amine
CID 81254555
N-[[6-methyl-4-(1-propan-2-ylpyrazol-4-yl)oxy-3-pyridinyl]methyl]cyclopropanamine
CID 116803040
N-[[6-methyl-4-(4,4,4-trifluorobutoxy)-3-pyridinyl]methyl]propan-1-amine
CID 82792176
N-[[4-(1-methylpyrazol-4-yl)oxy-3-pyridinyl]methyl]ethanamine
CID 116793323

Frequently Asked Questions

What is the IUPAC name of N-[[6-methyl-4-(1-methylpyrazol-4-yl)oxy-3-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[6-methyl-4-(1-methylpyrazol-4-yl)oxy-3-pyridinyl]methyl]propan-1-amine (CID 116793446) is N-[[6-methyl-4-(1-methylpyrazol-4-yl)oxy-3-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[6-methyl-4-(1-methylpyrazol-4-yl)oxy-3-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[6-methyl-4-(1-methylpyrazol-4-yl)oxy-3-pyridinyl]methyl]propan-1-amine is CCCNCc1cnc(C)cc1Oc1cnn(C)c1.
What is the InChIKey of N-[[6-methyl-4-(1-methylpyrazol-4-yl)oxy-3-pyridinyl]methyl]propan-1-amine?
The InChIKey is YUFUJGLUEFLRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-4-5-15-7-12-8-16-11(2)6-14(12)19-13-9-17-18(3)10-13/h6,8-10,15H,4-5,7H2,1-3H3.
What are the key properties of N-[[6-methyl-4-(1-methylpyrazol-4-yl)oxy-3-pyridinyl]methyl]propan-1-amine?
N-[[6-methyl-4-(1-methylpyrazol-4-yl)oxy-3-pyridinyl]methyl]propan-1-amine has a molecular weight of 260.34 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-methyl-4-(1-methylpyrazol-4-yl)oxy-3-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 116793446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).