2-[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenoxy]pyridine-3-carbonitrile

C18H19N3O2 — CID 56707715

IUPAC2-[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenoxy]pyridine-3-carbonitrile
SMILESCOc1cc(Oc2ncccc2C#N)ccc1CN1CCCC1
InChIInChI=1S/C18H19N3O2/c1-22-17-11-16(23-18-14(12-19)5-4-8-20-18)7-6-15(17)13-21-9-2-3-10-21/h4-8,11H,2-3,9-10,13H2,1H3
InChIKeyXGCQTCXXSNGDCP-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.35
Rot. Bonds5

About 2-[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenoxy]pyridine-3-carbonitrile

2-[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenoxy]pyridine-3-carbonitrile (PubChem CID 56707715) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenoxy]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenoxy]pyridine-3-carbonitrile
PubChem CID56707715
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name2-[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenoxy]pyridine-3-carbonitrile
SMILESCOc1cc(Oc2ncccc2C#N)ccc1CN1CCCC1
InChIInChI=1S/C18H19N3O2/c1-22-17-11-16(23-18-14(12-19)5-4-8-20-18)7-6-15(17)13-21-9-2-3-10-21/h4-8,11H,2-3,9-10,13H2,1H3
InChIKeyXGCQTCXXSNGDCP-UHFFFAOYSA-N
XLogP3.35
TPSA58.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2,6-dimethyl-4-(piperidin-1-ylmethyl)phenoxy]pyridine-3-carbonitrile
CID 56702155
methyl 4-[(3-cyano-2-pyridinyl)oxy]-2-methoxybenzoate
CID 122145206
2-(4-chloro-3-ethylphenoxy)pyridine-3-carbonitrile
CID 43212993
2-[4-[(5-bromo-2-methoxyphenyl)methyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 134031993
2-(3,5-dimethylphenoxy)pyridine-3-carbonitrile
CID 24709601
2-methoxy-5-(piperidin-1-ylmethyl)benzonitrile
CID 65343965
3-methoxy-4-(piperidin-1-ylmethyl)benzoic acid
CID 117219368
8-methoxy-5-(piperidin-1-ylmethyl)quinoline
CID 135293876
1-[(2,4-dimethoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine
CID 1126160
2-(3-cyanophenoxy)pyridine-3-carbonitrile
CID 24692068
methyl 3-[(3-cyano-2-pyridinyl)oxy]benzoate
CID 18194841
2-[4-[(2-methoxy-5-nitrophenyl)methyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 134031848

Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenoxy]pyridine-3-carbonitrile?
The IUPAC name of 2-[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenoxy]pyridine-3-carbonitrile (CID 56707715) is 2-[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenoxy]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenoxy]pyridine-3-carbonitrile?
The canonical SMILES for 2-[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenoxy]pyridine-3-carbonitrile is COc1cc(Oc2ncccc2C#N)ccc1CN1CCCC1.
What is the InChIKey of 2-[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenoxy]pyridine-3-carbonitrile?
The InChIKey is XGCQTCXXSNGDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-22-17-11-16(23-18-14(12-19)5-4-8-20-18)7-6-15(17)13-21-9-2-3-10-21/h4-8,11H,2-3,9-10,13H2,1H3.
What are the key properties of 2-[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenoxy]pyridine-3-carbonitrile?
2-[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenoxy]pyridine-3-carbonitrile has a molecular weight of 309.37 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenoxy]pyridine-3-carbonitrile is sourced from PubChem (CID 56707715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).