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

C16H24N4O — CID 124849088

IUPAC(2R)-N-[(6-methoxy-2-pyridinyl)methyl]-3-methyl-2-(2-methylpyrazol-3-yl)butan-1-amine
SMILESCOc1cccc(CNC[C@H](c2ccnn2C)C(C)C)n1
InChIInChI=1S/C16H24N4O/c1-12(2)14(15-8-9-18-20(15)3)11-17-10-13-6-5-7-16(19-13)21-4/h5-9,12,14,17H,10-11H2,1-4H3/t14-/m0/s1
InChIKeyNYZSKDJIHVEXPN-AWEZNQCLSA-N
MW288.40 g/mol
LogP2.35
Rot. Bonds7

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

(2R)-N-[(6-methoxy-2-pyridinyl)methyl]-3-methyl-2-(2-methylpyrazol-3-yl)butan-1-amine (PubChem CID 124849088) has the molecular formula C16H24N4O and a molecular weight of 288.40 g/mol. Its IUPAC name is (2R)-N-[(6-methoxy-2-pyridinyl)methyl]-3-methyl-2-(2-methylpyrazol-3-yl)butan-1-amine.

Molecular Properties

Compound Name(2R)-N-[(6-methoxy-2-pyridinyl)methyl]-3-methyl-2-(2-methylpyrazol-3-yl)butan-1-amine
PubChem CID124849088
Molecular FormulaC16H24N4O
Molecular Weight288.40 g/mol
Exact Mass288.20
IUPAC Name(2R)-N-[(6-methoxy-2-pyridinyl)methyl]-3-methyl-2-(2-methylpyrazol-3-yl)butan-1-amine
SMILESCOc1cccc(CNC[C@H](c2ccnn2C)C(C)C)n1
InChIInChI=1S/C16H24N4O/c1-12(2)14(15-8-9-18-20(15)3)11-17-10-13-6-5-7-16(19-13)21-4/h5-9,12,14,17H,10-11H2,1-4H3/t14-/m0/s1
InChIKeyNYZSKDJIHVEXPN-AWEZNQCLSA-N
XLogP2.35
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-N-[(6-methoxy-2-pyridinyl)methyl]-3-methyl-2-(2-methylpyrazol-3-yl)butan-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

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(6-methoxy-2-pyridinyl)methyl]-3-methyl-2-(2-methylpyrazol-3-yl)butan-1-amine?
The IUPAC name of (2R)-N-[(6-methoxy-2-pyridinyl)methyl]-3-methyl-2-(2-methylpyrazol-3-yl)butan-1-amine (CID 124849088) is (2R)-N-[(6-methoxy-2-pyridinyl)methyl]-3-methyl-2-(2-methylpyrazol-3-yl)butan-1-amine.
What is the SMILES notation for (2R)-N-[(6-methoxy-2-pyridinyl)methyl]-3-methyl-2-(2-methylpyrazol-3-yl)butan-1-amine?
The canonical SMILES for (2R)-N-[(6-methoxy-2-pyridinyl)methyl]-3-methyl-2-(2-methylpyrazol-3-yl)butan-1-amine is COc1cccc(CNC[C@H](c2ccnn2C)C(C)C)n1.
What is the InChIKey of (2R)-N-[(6-methoxy-2-pyridinyl)methyl]-3-methyl-2-(2-methylpyrazol-3-yl)butan-1-amine?
The InChIKey is NYZSKDJIHVEXPN-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H24N4O/c1-12(2)14(15-8-9-18-20(15)3)11-17-10-13-6-5-7-16(19-13)21-4/h5-9,12,14,17H,10-11H2,1-4H3/t14-/m0/s1.
What are the key properties of (2R)-N-[(6-methoxy-2-pyridinyl)methyl]-3-methyl-2-(2-methylpyrazol-3-yl)butan-1-amine?
(2R)-N-[(6-methoxy-2-pyridinyl)methyl]-3-methyl-2-(2-methylpyrazol-3-yl)butan-1-amine has a molecular weight of 288.40 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(6-methoxy-2-pyridinyl)methyl]-3-methyl-2-(2-methylpyrazol-3-yl)butan-1-amine is sourced from PubChem (CID 124849088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).