1-phenyl-3-(pyridin-4-ylmethylamino)cyclobutane-1-carbonitrile

C17H17N3 — CID 64904841

IUPAC1-phenyl-3-(pyridin-4-ylmethylamino)cyclobutane-1-carbonitrile
SMILESN#CC1(c2ccccc2)CC(NCc2ccncc2)C1
InChIInChI=1S/C17H17N3/c18-13-17(15-4-2-1-3-5-15)10-16(11-17)20-12-14-6-8-19-9-7-14/h1-9,16,20H,10-12H2
InChIKeyZYDRDNNQZMLHQP-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.80
Rot. Bonds4

About 1-phenyl-3-(pyridin-4-ylmethylamino)cyclobutane-1-carbonitrile

1-phenyl-3-(pyridin-4-ylmethylamino)cyclobutane-1-carbonitrile (PubChem CID 64904841) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-phenyl-3-(pyridin-4-ylmethylamino)cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-phenyl-3-(pyridin-4-ylmethylamino)cyclobutane-1-carbonitrile
PubChem CID64904841
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name1-phenyl-3-(pyridin-4-ylmethylamino)cyclobutane-1-carbonitrile
SMILESN#CC1(c2ccccc2)CC(NCc2ccncc2)C1
InChIInChI=1S/C17H17N3/c18-13-17(15-4-2-1-3-5-15)10-16(11-17)20-12-14-6-8-19-9-7-14/h1-9,16,20H,10-12H2
InChIKeyZYDRDNNQZMLHQP-UHFFFAOYSA-N
XLogP2.80
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(pyridin-4-ylmethylamino)cyclobutane-1-carbonitrile?
The IUPAC name of 1-phenyl-3-(pyridin-4-ylmethylamino)cyclobutane-1-carbonitrile (CID 64904841) is 1-phenyl-3-(pyridin-4-ylmethylamino)cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-phenyl-3-(pyridin-4-ylmethylamino)cyclobutane-1-carbonitrile?
The canonical SMILES for 1-phenyl-3-(pyridin-4-ylmethylamino)cyclobutane-1-carbonitrile is N#CC1(c2ccccc2)CC(NCc2ccncc2)C1.
What is the InChIKey of 1-phenyl-3-(pyridin-4-ylmethylamino)cyclobutane-1-carbonitrile?
The InChIKey is ZYDRDNNQZMLHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c18-13-17(15-4-2-1-3-5-15)10-16(11-17)20-12-14-6-8-19-9-7-14/h1-9,16,20H,10-12H2.
What are the key properties of 1-phenyl-3-(pyridin-4-ylmethylamino)cyclobutane-1-carbonitrile?
1-phenyl-3-(pyridin-4-ylmethylamino)cyclobutane-1-carbonitrile has a molecular weight of 263.34 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(pyridin-4-ylmethylamino)cyclobutane-1-carbonitrile is sourced from PubChem (CID 64904841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).