1-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]cyclobutane-1-carbonitrile

C17H17ClN2O — CID 91659463

IUPAC1-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]cyclobutane-1-carbonitrile
SMILESN#CC1(C(=O)N2CC=C(c3ccc(Cl)cc3)CC2)CCC1
InChIInChI=1S/C17H17ClN2O/c18-15-4-2-13(3-5-15)14-6-10-20(11-7-14)16(21)17(12-19)8-1-9-17/h2-6H,1,7-11H2
InChIKeyDRBUKUFIKFNQRE-UHFFFAOYSA-N
MW300.79 g/mol
LogP3.65
Rot. Bonds2

About 1-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]cyclobutane-1-carbonitrile

1-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]cyclobutane-1-carbonitrile (PubChem CID 91659463) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]cyclobutane-1-carbonitrile
PubChem CID91659463
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC Name1-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]cyclobutane-1-carbonitrile
SMILESN#CC1(C(=O)N2CC=C(c3ccc(Cl)cc3)CC2)CCC1
InChIInChI=1S/C17H17ClN2O/c18-15-4-2-13(3-5-15)14-6-10-20(11-7-14)16(21)17(12-19)8-1-9-17/h2-6H,1,7-11H2
InChIKeyDRBUKUFIKFNQRE-UHFFFAOYSA-N
XLogP3.65
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]cyclobutane-1-carbonitrile?
The IUPAC name of 1-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]cyclobutane-1-carbonitrile (CID 91659463) is 1-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]cyclobutane-1-carbonitrile?
The canonical SMILES for 1-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]cyclobutane-1-carbonitrile is N#CC1(C(=O)N2CC=C(c3ccc(Cl)cc3)CC2)CCC1.
What is the InChIKey of 1-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]cyclobutane-1-carbonitrile?
The InChIKey is DRBUKUFIKFNQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O/c18-15-4-2-13(3-5-15)14-6-10-20(11-7-14)16(21)17(12-19)8-1-9-17/h2-6H,1,7-11H2.
What are the key properties of 1-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]cyclobutane-1-carbonitrile?
1-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]cyclobutane-1-carbonitrile has a molecular weight of 300.79 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]cyclobutane-1-carbonitrile is sourced from PubChem (CID 91659463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).