6-methoxy-N-[(1S)-1-(5-methyl-1H-pyrazol-4-yl)ethyl]pyridin-3-amine

C12H16N4O — CID 99789848

IUPAC6-methoxy-N-[(1S)-1-(5-methyl-1H-pyrazol-4-yl)ethyl]pyridin-3-amine
SMILESCOc1ccc(N[C@@H](C)c2cn[nH]c2C)cn1
InChIInChI=1S/C12H16N4O/c1-8(11-7-14-16-9(11)2)15-10-4-5-12(17-3)13-6-10/h4-8,15H,1-3H3,(H,14,16)/t8-/m0/s1
InChIKeyFQVZKSXCGLTDRY-QMMMGPOBSA-N
MW232.29 g/mol
LogP2.29
Rot. Bonds4

About 6-methoxy-N-[(1S)-1-(5-methyl-1H-pyrazol-4-yl)ethyl]pyridin-3-amine

6-methoxy-N-[(1S)-1-(5-methyl-1H-pyrazol-4-yl)ethyl]pyridin-3-amine (PubChem CID 99789848) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 6-methoxy-N-[(1S)-1-(5-methyl-1H-pyrazol-4-yl)ethyl]pyridin-3-amine.

Molecular Properties

Compound Name6-methoxy-N-[(1S)-1-(5-methyl-1H-pyrazol-4-yl)ethyl]pyridin-3-amine
PubChem CID99789848
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name6-methoxy-N-[(1S)-1-(5-methyl-1H-pyrazol-4-yl)ethyl]pyridin-3-amine
SMILESCOc1ccc(N[C@@H](C)c2cn[nH]c2C)cn1
InChIInChI=1S/C12H16N4O/c1-8(11-7-14-16-9(11)2)15-10-4-5-12(17-3)13-6-10/h4-8,15H,1-3H3,(H,14,16)/t8-/m0/s1
InChIKeyFQVZKSXCGLTDRY-QMMMGPOBSA-N
XLogP2.29
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[(1S)-1-(5-methyl-1H-pyrazol-4-yl)ethyl]pyridin-3-amine?
The IUPAC name of 6-methoxy-N-[(1S)-1-(5-methyl-1H-pyrazol-4-yl)ethyl]pyridin-3-amine (CID 99789848) is 6-methoxy-N-[(1S)-1-(5-methyl-1H-pyrazol-4-yl)ethyl]pyridin-3-amine.
What is the SMILES notation for 6-methoxy-N-[(1S)-1-(5-methyl-1H-pyrazol-4-yl)ethyl]pyridin-3-amine?
The canonical SMILES for 6-methoxy-N-[(1S)-1-(5-methyl-1H-pyrazol-4-yl)ethyl]pyridin-3-amine is COc1ccc(N[C@@H](C)c2cn[nH]c2C)cn1.
What is the InChIKey of 6-methoxy-N-[(1S)-1-(5-methyl-1H-pyrazol-4-yl)ethyl]pyridin-3-amine?
The InChIKey is FQVZKSXCGLTDRY-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H16N4O/c1-8(11-7-14-16-9(11)2)15-10-4-5-12(17-3)13-6-10/h4-8,15H,1-3H3,(H,14,16)/t8-/m0/s1.
What are the key properties of 6-methoxy-N-[(1S)-1-(5-methyl-1H-pyrazol-4-yl)ethyl]pyridin-3-amine?
6-methoxy-N-[(1S)-1-(5-methyl-1H-pyrazol-4-yl)ethyl]pyridin-3-amine has a molecular weight of 232.29 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[(1S)-1-(5-methyl-1H-pyrazol-4-yl)ethyl]pyridin-3-amine is sourced from PubChem (CID 99789848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).