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

C15H17N5 — CID 163349021

IUPAC3-[3-[(2-ethylimidazol-1-yl)methyl]azetidin-1-yl]pyridine-4-carbonitrile
SMILESCCc1nccn1CC1CN(c2cnccc2C#N)C1
InChIInChI=1S/C15H17N5/c1-2-15-18-5-6-19(15)9-12-10-20(11-12)14-8-17-4-3-13(14)7-16/h3-6,8,12H,2,9-11H2,1H3
InChIKeyBJOJGYKBKIHMOO-UHFFFAOYSA-N
MW267.34 g/mol
LogP1.85
Rot. Bonds4

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

3-[3-[(2-ethylimidazol-1-yl)methyl]azetidin-1-yl]pyridine-4-carbonitrile (PubChem CID 163349021) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is 3-[3-[(2-ethylimidazol-1-yl)methyl]azetidin-1-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-[3-[(2-ethylimidazol-1-yl)methyl]azetidin-1-yl]pyridine-4-carbonitrile
PubChem CID163349021
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name3-[3-[(2-ethylimidazol-1-yl)methyl]azetidin-1-yl]pyridine-4-carbonitrile
SMILESCCc1nccn1CC1CN(c2cnccc2C#N)C1
InChIInChI=1S/C15H17N5/c1-2-15-18-5-6-19(15)9-12-10-20(11-12)14-8-17-4-3-13(14)7-16/h3-6,8,12H,2,9-11H2,1H3
InChIKeyBJOJGYKBKIHMOO-UHFFFAOYSA-N
XLogP1.85
TPSA57.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[(2-ethylimidazol-1-yl)methyl]azetidin-1-yl]quinoxaline
CID 163346437
1-(cyclopropylmethyl)-2-ethylimidazole
CID 63811309
3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyridine-4-carbonitrile
CID 115883813
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)pyridine-4-carbonitrile
CID 115559870
2-ethyl-1-[[1-[(4-fluorophenyl)methyl]azetidin-3-yl]methyl]imidazole
CID 163346092
2-[3-[(2-ethylimidazol-1-yl)methyl]azetidin-1-yl]-1-methylbenzimidazole
CID 163346415
1-[[1-[(3-bromophenyl)methyl]azetidin-3-yl]methyl]-2-ethylimidazole
CID 163346162
3-[4-(1-hydroxyethyl)piperidin-1-yl]pyridine-4-carbonitrile
CID 103888677
2-[3-[(2-ethylimidazol-1-yl)methyl]azetidin-1-yl]-3-methylquinazolin-4-one
CID 163349539
3-[3-(5-methylpyrimidin-2-yl)oxypyrrolidin-1-yl]pyridine-4-carbonitrile
CID 171702059
4-[(2-ethylimidazol-1-yl)methyl]pyridine
CID 63810514
3-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]pyridine-4-carbonitrile
CID 154829519

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(2-ethylimidazol-1-yl)methyl]azetidin-1-yl]pyridine-4-carbonitrile?
The IUPAC name of 3-[3-[(2-ethylimidazol-1-yl)methyl]azetidin-1-yl]pyridine-4-carbonitrile (CID 163349021) is 3-[3-[(2-ethylimidazol-1-yl)methyl]azetidin-1-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 3-[3-[(2-ethylimidazol-1-yl)methyl]azetidin-1-yl]pyridine-4-carbonitrile?
The canonical SMILES for 3-[3-[(2-ethylimidazol-1-yl)methyl]azetidin-1-yl]pyridine-4-carbonitrile is CCc1nccn1CC1CN(c2cnccc2C#N)C1.
What is the InChIKey of 3-[3-[(2-ethylimidazol-1-yl)methyl]azetidin-1-yl]pyridine-4-carbonitrile?
The InChIKey is BJOJGYKBKIHMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-2-15-18-5-6-19(15)9-12-10-20(11-12)14-8-17-4-3-13(14)7-16/h3-6,8,12H,2,9-11H2,1H3.
What are the key properties of 3-[3-[(2-ethylimidazol-1-yl)methyl]azetidin-1-yl]pyridine-4-carbonitrile?
3-[3-[(2-ethylimidazol-1-yl)methyl]azetidin-1-yl]pyridine-4-carbonitrile has a molecular weight of 267.34 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(2-ethylimidazol-1-yl)methyl]azetidin-1-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 163349021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).