6-[3-[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]propyl]pyridine-2-carbonitrile

C19H17N5 — CID 123692334

IUPAC6-[3-[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]propyl]pyridine-2-carbonitrile
SMILESCc1cccc(-c2nccc(CCCc3cccc(C#N)n3)n2)n1
InChIInChI=1S/C19H17N5/c1-14-5-2-10-18(22-14)19-21-12-11-16(24-19)8-3-6-15-7-4-9-17(13-20)23-15/h2,4-5,7,9-12H,3,6,8H2,1H3
InChIKeyHCCSCOLCWTTWQJ-UHFFFAOYSA-N
MW315.38 g/mol
LogP3.29
Rot. Bonds5

About 6-[3-[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]propyl]pyridine-2-carbonitrile

6-[3-[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]propyl]pyridine-2-carbonitrile (PubChem CID 123692334) has the molecular formula C19H17N5 and a molecular weight of 315.38 g/mol. Its IUPAC name is 6-[3-[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]propyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[3-[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]propyl]pyridine-2-carbonitrile
PubChem CID123692334
Molecular FormulaC19H17N5
Molecular Weight315.38 g/mol
Exact Mass315.15
IUPAC Name6-[3-[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]propyl]pyridine-2-carbonitrile
SMILESCc1cccc(-c2nccc(CCCc3cccc(C#N)n3)n2)n1
InChIInChI=1S/C19H17N5/c1-14-5-2-10-18(22-14)19-21-12-11-16(24-19)8-3-6-15-7-4-9-17(13-20)23-15/h2,4-5,7,9-12H,3,6,8H2,1H3
InChIKeyHCCSCOLCWTTWQJ-UHFFFAOYSA-N
XLogP3.29
TPSA75.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[3-[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]propyl]pyridine-2-carbonitrile?
The IUPAC name of 6-[3-[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]propyl]pyridine-2-carbonitrile (CID 123692334) is 6-[3-[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]propyl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[3-[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]propyl]pyridine-2-carbonitrile?
The canonical SMILES for 6-[3-[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]propyl]pyridine-2-carbonitrile is Cc1cccc(-c2nccc(CCCc3cccc(C#N)n3)n2)n1.
What is the InChIKey of 6-[3-[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]propyl]pyridine-2-carbonitrile?
The InChIKey is HCCSCOLCWTTWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5/c1-14-5-2-10-18(22-14)19-21-12-11-16(24-19)8-3-6-15-7-4-9-17(13-20)23-15/h2,4-5,7,9-12H,3,6,8H2,1H3.
What are the key properties of 6-[3-[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]propyl]pyridine-2-carbonitrile?
6-[3-[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]propyl]pyridine-2-carbonitrile has a molecular weight of 315.38 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]propyl]pyridine-2-carbonitrile is sourced from PubChem (CID 123692334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).