6-[[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]amino]pyridine-2-carbonitrile

C15H17N5O — CID 91770029

IUPAC6-[[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]amino]pyridine-2-carbonitrile
SMILESCn1cc(C(Nc2cccc(C#N)n2)C2CC(O)C2)cn1
InChIInChI=1S/C15H17N5O/c1-20-9-11(8-17-20)15(10-5-13(21)6-10)19-14-4-2-3-12(7-16)18-14/h2-4,8-10,13,15,21H,5-6H2,1H3,(H,18,19)
InChIKeyNLRXIOPXTSOLIM-UHFFFAOYSA-N
MW283.34 g/mol
LogP1.61
Rot. Bonds4

About 6-[[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]amino]pyridine-2-carbonitrile

6-[[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]amino]pyridine-2-carbonitrile (PubChem CID 91770029) has the molecular formula C15H17N5O and a molecular weight of 283.34 g/mol. Its IUPAC name is 6-[[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]amino]pyridine-2-carbonitrile
PubChem CID91770029
Molecular FormulaC15H17N5O
Molecular Weight283.34 g/mol
Exact Mass283.14
IUPAC Name6-[[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]amino]pyridine-2-carbonitrile
SMILESCn1cc(C(Nc2cccc(C#N)n2)C2CC(O)C2)cn1
InChIInChI=1S/C15H17N5O/c1-20-9-11(8-17-20)15(10-5-13(21)6-10)19-14-4-2-3-12(7-16)18-14/h2-4,8-10,13,15,21H,5-6H2,1H3,(H,18,19)
InChIKeyNLRXIOPXTSOLIM-UHFFFAOYSA-N
XLogP1.61
TPSA86.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]amino]pyridine-2-carbonitrile?
The IUPAC name of 6-[[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]amino]pyridine-2-carbonitrile (CID 91770029) is 6-[[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]amino]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]amino]pyridine-2-carbonitrile?
The canonical SMILES for 6-[[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]amino]pyridine-2-carbonitrile is Cn1cc(C(Nc2cccc(C#N)n2)C2CC(O)C2)cn1.
What is the InChIKey of 6-[[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]amino]pyridine-2-carbonitrile?
The InChIKey is NLRXIOPXTSOLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-20-9-11(8-17-20)15(10-5-13(21)6-10)19-14-4-2-3-12(7-16)18-14/h2-4,8-10,13,15,21H,5-6H2,1H3,(H,18,19).
What are the key properties of 6-[[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]amino]pyridine-2-carbonitrile?
6-[[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]amino]pyridine-2-carbonitrile has a molecular weight of 283.34 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]amino]pyridine-2-carbonitrile is sourced from PubChem (CID 91770029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).