3-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]pyridine-2-carbonitrile

C14H19N3O — CID 62893634

IUPAC3-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]pyridine-2-carbonitrile
SMILESN#Cc1ncccc1CN1CCCC1CCCO
InChIInChI=1S/C14H19N3O/c15-10-14-12(4-1-7-16-14)11-17-8-2-5-13(17)6-3-9-18/h1,4,7,13,18H,2-3,5-6,8-9,11H2
InChIKeyDMBFEAFGEKIAKM-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.69
Rot. Bonds5

About 3-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]pyridine-2-carbonitrile

3-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]pyridine-2-carbonitrile (PubChem CID 62893634) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]pyridine-2-carbonitrile
PubChem CID62893634
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name3-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]pyridine-2-carbonitrile
SMILESN#Cc1ncccc1CN1CCCC1CCCO
InChIInChI=1S/C14H19N3O/c15-10-14-12(4-1-7-16-14)11-17-8-2-5-13(17)6-3-9-18/h1,4,7,13,18H,2-3,5-6,8-9,11H2
InChIKeyDMBFEAFGEKIAKM-UHFFFAOYSA-N
XLogP1.69
TPSA60.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]pyridine-2-carbonitrile?
The IUPAC name of 3-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]pyridine-2-carbonitrile (CID 62893634) is 3-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]pyridine-2-carbonitrile is N#Cc1ncccc1CN1CCCC1CCCO.
What is the InChIKey of 3-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]pyridine-2-carbonitrile?
The InChIKey is DMBFEAFGEKIAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c15-10-14-12(4-1-7-16-14)11-17-8-2-5-13(17)6-3-9-18/h1,4,7,13,18H,2-3,5-6,8-9,11H2.
What are the key properties of 3-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]pyridine-2-carbonitrile?
3-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]pyridine-2-carbonitrile has a molecular weight of 245.33 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 62893634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).