N-(1,4-dioxan-2-ylmethyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide

C15H21N3O3 — CID 71938899

IUPACN-(1,4-dioxan-2-ylmethyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
SMILESO=C(NCC1COCCO1)N1CCCC1c1ccncc1
InChIInChI=1S/C15H21N3O3/c19-15(17-10-13-11-20-8-9-21-13)18-7-1-2-14(18)12-3-5-16-6-4-12/h3-6,13-14H,1-2,7-11H2,(H,17,19)
InChIKeyDARXUCVRILKPOJ-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.34
Rot. Bonds3

About N-(1,4-dioxan-2-ylmethyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide

N-(1,4-dioxan-2-ylmethyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide (PubChem CID 71938899) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-(1,4-dioxan-2-ylmethyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(1,4-dioxan-2-ylmethyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
PubChem CID71938899
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN-(1,4-dioxan-2-ylmethyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
SMILESO=C(NCC1COCCO1)N1CCCC1c1ccncc1
InChIInChI=1S/C15H21N3O3/c19-15(17-10-13-11-20-8-9-21-13)18-7-1-2-14(18)12-3-5-16-6-4-12/h3-6,13-14H,1-2,7-11H2,(H,17,19)
InChIKeyDARXUCVRILKPOJ-UHFFFAOYSA-N
XLogP1.34
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxan-2-ylmethyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide?
The IUPAC name of N-(1,4-dioxan-2-ylmethyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide (CID 71938899) is N-(1,4-dioxan-2-ylmethyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-(1,4-dioxan-2-ylmethyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide?
The canonical SMILES for N-(1,4-dioxan-2-ylmethyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide is O=C(NCC1COCCO1)N1CCCC1c1ccncc1.
What is the InChIKey of N-(1,4-dioxan-2-ylmethyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide?
The InChIKey is DARXUCVRILKPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c19-15(17-10-13-11-20-8-9-21-13)18-7-1-2-14(18)12-3-5-16-6-4-12/h3-6,13-14H,1-2,7-11H2,(H,17,19).
What are the key properties of N-(1,4-dioxan-2-ylmethyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide?
N-(1,4-dioxan-2-ylmethyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxan-2-ylmethyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 71938899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).