2-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)pyridine-4-carbonitrile

C18H19N5 — CID 163314786

IUPAC2-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)pyridine-4-carbonitrile
SMILESCc1ncc2c(n1)C1(CCCN(c3cc(C#N)ccn3)C1)CC2
InChIInChI=1S/C18H19N5/c1-13-21-11-15-3-6-18(17(15)22-13)5-2-8-23(12-18)16-9-14(10-19)4-7-20-16/h4,7,9,11H,2-3,5-6,8,12H2,1H3
InChIKeyGZQZXSHMHBELJM-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.54
Rot. Bonds1

About 2-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)pyridine-4-carbonitrile

2-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)pyridine-4-carbonitrile (PubChem CID 163314786) has the molecular formula C18H19N5 and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)pyridine-4-carbonitrile
PubChem CID163314786
Molecular FormulaC18H19N5
Molecular Weight305.38 g/mol
Exact Mass305.16
IUPAC Name2-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)pyridine-4-carbonitrile
SMILESCc1ncc2c(n1)C1(CCCN(c3cc(C#N)ccn3)C1)CC2
InChIInChI=1S/C18H19N5/c1-13-21-11-15-3-6-18(17(15)22-13)5-2-8-23(12-18)16-9-14(10-19)4-7-20-16/h4,7,9,11H,2-3,5-6,8,12H2,1H3
InChIKeyGZQZXSHMHBELJM-UHFFFAOYSA-N
XLogP2.54
TPSA65.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)pyridine-4-carbonitrile?
The IUPAC name of 2-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)pyridine-4-carbonitrile (CID 163314786) is 2-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)pyridine-4-carbonitrile.
What is the SMILES notation for 2-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)pyridine-4-carbonitrile?
The canonical SMILES for 2-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)pyridine-4-carbonitrile is Cc1ncc2c(n1)C1(CCCN(c3cc(C#N)ccn3)C1)CC2.
What is the InChIKey of 2-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)pyridine-4-carbonitrile?
The InChIKey is GZQZXSHMHBELJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5/c1-13-21-11-15-3-6-18(17(15)22-13)5-2-8-23(12-18)16-9-14(10-19)4-7-20-16/h4,7,9,11H,2-3,5-6,8,12H2,1H3.
What are the key properties of 2-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)pyridine-4-carbonitrile?
2-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)pyridine-4-carbonitrile has a molecular weight of 305.38 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)pyridine-4-carbonitrile is sourced from PubChem (CID 163314786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).