N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]propan-1-amine

C16H24N4O — CID 46994141

IUPACN-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]propan-1-amine
SMILESCOc1ccc(CN(Cc2cnn(C)c2)CC(C)C)cn1
InChIInChI=1S/C16H24N4O/c1-13(2)9-20(12-15-8-18-19(3)10-15)11-14-5-6-16(21-4)17-7-14/h5-8,10,13H,9,11-12H2,1-4H3
InChIKeyDKZDHKHBKLODJZ-UHFFFAOYSA-N
MW288.40 g/mol
LogP2.48
Rot. Bonds7

About N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]propan-1-amine

N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]propan-1-amine (PubChem CID 46994141) has the molecular formula C16H24N4O and a molecular weight of 288.40 g/mol. Its IUPAC name is N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]propan-1-amine
PubChem CID46994141
Molecular FormulaC16H24N4O
Molecular Weight288.40 g/mol
Exact Mass288.20
IUPAC NameN-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]propan-1-amine
SMILESCOc1ccc(CN(Cc2cnn(C)c2)CC(C)C)cn1
InChIInChI=1S/C16H24N4O/c1-13(2)9-20(12-15-8-18-19(3)10-15)11-14-5-6-16(21-4)17-7-14/h5-8,10,13H,9,11-12H2,1-4H3
InChIKeyDKZDHKHBKLODJZ-UHFFFAOYSA-N
XLogP2.48
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-Methoxy-5-(1-methylpyrrolidin-2-yl)pyridine
CID 10535763
N-[(6-methoxy-3-pyridinyl)methyl]-N-methylethanamine
CID 10821254
US11026923, Example 67
CID 155773325
2,3-Dihydro-4-methyl-2-[2-(1H-pyrazol-1-yl)ethyl]pyrido[3,2-f][1,4]oxazepine-5(4H)-thione
CID 13726518
US10617680, Example 308
CID 135355304
US11026923, Example 62
CID 155773331
1-[(2-Methoxy-3-pyridinyl)methyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea
CID 45828049
N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine
CID 51104898
4-[[(6-methoxy-3-pyridinyl)methylamino]methyl]-N,N,1-trimethyl-3-propan-2-ylpyrazol-5-amine
CID 51104901
4-[[(2-methoxy-4-pyridinyl)methylamino]methyl]-N,N,1-trimethyl-3-propan-2-ylpyrazol-5-amine
CID 51104956
N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine
CID 51104993
4-[[(2-methoxy-3-pyridinyl)methylamino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine
CID 51104994

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]propan-1-amine (CID 46994141) is N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]propan-1-amine is COc1ccc(CN(Cc2cnn(C)c2)CC(C)C)cn1.
What is the InChIKey of N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]propan-1-amine?
The InChIKey is DKZDHKHBKLODJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-13(2)9-20(12-15-8-18-19(3)10-15)11-14-5-6-16(21-4)17-7-14/h5-8,10,13H,9,11-12H2,1-4H3.
What are the key properties of N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]propan-1-amine?
N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]propan-1-amine has a molecular weight of 288.40 g/mol, XLogP of 2.48, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 46994141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).