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

C13H18N4O — CID 97258593

IUPAC6-methoxy-N-[(2S)-1-(1-methylpyrazol-4-yl)propan-2-yl]pyridin-3-amine
SMILESCOc1ccc(N[C@@H](C)Cc2cnn(C)c2)cn1
InChIInChI=1S/C13H18N4O/c1-10(6-11-7-15-17(2)9-11)16-12-4-5-13(18-3)14-8-12/h4-5,7-10,16H,6H2,1-3H3/t10-/m0/s1
InChIKeyVHSRYVQCMGRBFQ-JTQLQIEISA-N
MW246.31 g/mol
LogP1.87
Rot. Bonds5

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

6-methoxy-N-[(2S)-1-(1-methylpyrazol-4-yl)propan-2-yl]pyridin-3-amine (PubChem CID 97258593) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 6-methoxy-N-[(2S)-1-(1-methylpyrazol-4-yl)propan-2-yl]pyridin-3-amine.

Molecular Properties

Compound Name6-methoxy-N-[(2S)-1-(1-methylpyrazol-4-yl)propan-2-yl]pyridin-3-amine
PubChem CID97258593
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name6-methoxy-N-[(2S)-1-(1-methylpyrazol-4-yl)propan-2-yl]pyridin-3-amine
SMILESCOc1ccc(N[C@@H](C)Cc2cnn(C)c2)cn1
InChIInChI=1S/C13H18N4O/c1-10(6-11-7-15-17(2)9-11)16-12-4-5-13(18-3)14-8-12/h4-5,7-10,16H,6H2,1-3H3/t10-/m0/s1
InChIKeyVHSRYVQCMGRBFQ-JTQLQIEISA-N
XLogP1.87
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-6-methoxypyridin-3-amine
CID 20786149
(2S)-1-(4-methylpyrazol-1-yl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 95289236
US11026923, Example 183
CID 155642144
US11026923, Example 9
CID 155773324
US11026923, Example 67
CID 155773325
US11026923, Example 60
CID 155773336
US11491140, Example 180
CID 166594432
N-[(1-ethylpyrazol-4-yl)-pyridin-3-ylmethyl]-1-[4-(trifluoromethoxy)phenyl]piperidin-4-amine
CID 56672644
1-[(3-Methoxyphenyl)methyl]-3-(1-pyridin-4-ylpyrazol-4-yl)urea
CID 124085786
US10034861, Example 175
CID 132273467
US11491140, Example 44
CID 138746919
US11634416, Example 15
CID 146420737

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[(2S)-1-(1-methylpyrazol-4-yl)propan-2-yl]pyridin-3-amine?
The IUPAC name of 6-methoxy-N-[(2S)-1-(1-methylpyrazol-4-yl)propan-2-yl]pyridin-3-amine (CID 97258593) is 6-methoxy-N-[(2S)-1-(1-methylpyrazol-4-yl)propan-2-yl]pyridin-3-amine.
What is the SMILES notation for 6-methoxy-N-[(2S)-1-(1-methylpyrazol-4-yl)propan-2-yl]pyridin-3-amine?
The canonical SMILES for 6-methoxy-N-[(2S)-1-(1-methylpyrazol-4-yl)propan-2-yl]pyridin-3-amine is COc1ccc(N[C@@H](C)Cc2cnn(C)c2)cn1.
What is the InChIKey of 6-methoxy-N-[(2S)-1-(1-methylpyrazol-4-yl)propan-2-yl]pyridin-3-amine?
The InChIKey is VHSRYVQCMGRBFQ-JTQLQIEISA-N. The full InChI is InChI=1S/C13H18N4O/c1-10(6-11-7-15-17(2)9-11)16-12-4-5-13(18-3)14-8-12/h4-5,7-10,16H,6H2,1-3H3/t10-/m0/s1.
What are the key properties of 6-methoxy-N-[(2S)-1-(1-methylpyrazol-4-yl)propan-2-yl]pyridin-3-amine?
6-methoxy-N-[(2S)-1-(1-methylpyrazol-4-yl)propan-2-yl]pyridin-3-amine has a molecular weight of 246.31 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[(2S)-1-(1-methylpyrazol-4-yl)propan-2-yl]pyridin-3-amine is sourced from PubChem (CID 97258593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).