1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-3,6-dihydro-2H-pyridine-4-carbonitrile

C17H17N5 — CID 75396075

IUPAC1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-3,6-dihydro-2H-pyridine-4-carbonitrile
SMILESCCc1cc(N2CC=C(C#N)CC2)nc(-c2ccncc2)n1
InChIInChI=1S/C17H17N5/c1-2-15-11-16(22-9-5-13(12-18)6-10-22)21-17(20-15)14-3-7-19-8-4-14/h3-5,7-8,11H,2,6,9-10H2,1H3
InChIKeyWFHUSQRRTIIRQJ-UHFFFAOYSA-N
MW291.36 g/mol
LogP2.76
Rot. Bonds3

About 1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-3,6-dihydro-2H-pyridine-4-carbonitrile

1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-3,6-dihydro-2H-pyridine-4-carbonitrile (PubChem CID 75396075) has the molecular formula C17H17N5 and a molecular weight of 291.36 g/mol. Its IUPAC name is 1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-3,6-dihydro-2H-pyridine-4-carbonitrile.

Molecular Properties

Compound Name1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-3,6-dihydro-2H-pyridine-4-carbonitrile
PubChem CID75396075
Molecular FormulaC17H17N5
Molecular Weight291.36 g/mol
Exact Mass291.15
IUPAC Name1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-3,6-dihydro-2H-pyridine-4-carbonitrile
SMILESCCc1cc(N2CC=C(C#N)CC2)nc(-c2ccncc2)n1
InChIInChI=1S/C17H17N5/c1-2-15-11-16(22-9-5-13(12-18)6-10-22)21-17(20-15)14-3-7-19-8-4-14/h3-5,7-8,11H,2,6,9-10H2,1H3
InChIKeyWFHUSQRRTIIRQJ-UHFFFAOYSA-N
XLogP2.76
TPSA65.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-3,6-dihydro-2H-pyridine-4-carbonitrile?
The IUPAC name of 1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-3,6-dihydro-2H-pyridine-4-carbonitrile (CID 75396075) is 1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-3,6-dihydro-2H-pyridine-4-carbonitrile.
What is the SMILES notation for 1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-3,6-dihydro-2H-pyridine-4-carbonitrile?
The canonical SMILES for 1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-3,6-dihydro-2H-pyridine-4-carbonitrile is CCc1cc(N2CC=C(C#N)CC2)nc(-c2ccncc2)n1.
What is the InChIKey of 1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-3,6-dihydro-2H-pyridine-4-carbonitrile?
The InChIKey is WFHUSQRRTIIRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5/c1-2-15-11-16(22-9-5-13(12-18)6-10-22)21-17(20-15)14-3-7-19-8-4-14/h3-5,7-8,11H,2,6,9-10H2,1H3.
What are the key properties of 1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-3,6-dihydro-2H-pyridine-4-carbonitrile?
1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-3,6-dihydro-2H-pyridine-4-carbonitrile has a molecular weight of 291.36 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-3,6-dihydro-2H-pyridine-4-carbonitrile is sourced from PubChem (CID 75396075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).