4-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]pyridine-2-carbonitrile

C16H19N5 — CID 163351014

IUPAC4-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]pyridine-2-carbonitrile
SMILESCC(C)c1nccn1CC1CN(c2ccnc(C#N)c2)C1
InChIInChI=1S/C16H19N5/c1-12(2)16-19-5-6-20(16)9-13-10-21(11-13)15-3-4-18-14(7-15)8-17/h3-7,12-13H,9-11H2,1-2H3
InChIKeyDYRLPKBDHBGXOG-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.41
Rot. Bonds4

About 4-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]pyridine-2-carbonitrile

4-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]pyridine-2-carbonitrile (PubChem CID 163351014) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]pyridine-2-carbonitrile
PubChem CID163351014
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC Name4-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]pyridine-2-carbonitrile
SMILESCC(C)c1nccn1CC1CN(c2ccnc(C#N)c2)C1
InChIInChI=1S/C16H19N5/c1-12(2)16-19-5-6-20(16)9-13-10-21(11-13)15-3-4-18-14(7-15)8-17/h3-7,12-13H,9-11H2,1-2H3
InChIKeyDYRLPKBDHBGXOG-UHFFFAOYSA-N
XLogP2.41
TPSA57.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 4-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]pyridine-2-carbonitrile (CID 163351014) is 4-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]pyridine-2-carbonitrile is CC(C)c1nccn1CC1CN(c2ccnc(C#N)c2)C1.
What is the InChIKey of 4-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]pyridine-2-carbonitrile?
The InChIKey is DYRLPKBDHBGXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-12(2)16-19-5-6-20(16)9-13-10-21(11-13)15-3-4-18-14(7-15)8-17/h3-7,12-13H,9-11H2,1-2H3.
What are the key properties of 4-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]pyridine-2-carbonitrile?
4-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]pyridine-2-carbonitrile has a molecular weight of 281.36 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 163351014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).