N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-2-(1,2,3,6-tetrahydropyridin-4-yl)acetamide

C18H25N3O2 — CID 50978665

IUPACN-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-2-(1,2,3,6-tetrahydropyridin-4-yl)acetamide
SMILESO=C(CC1=CCNCC1)N(Cc1ccccn1)CC1CCCO1
InChIInChI=1S/C18H25N3O2/c22-18(12-15-6-9-19-10-7-15)21(14-17-5-3-11-23-17)13-16-4-1-2-8-20-16/h1-2,4,6,8,17,19H,3,5,7,9-14H2
InChIKeyKPYNAZNIVWDMFG-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.90
Rot. Bonds6

About N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-2-(1,2,3,6-tetrahydropyridin-4-yl)acetamide

N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-2-(1,2,3,6-tetrahydropyridin-4-yl)acetamide (PubChem CID 50978665) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-2-(1,2,3,6-tetrahydropyridin-4-yl)acetamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-2-(1,2,3,6-tetrahydropyridin-4-yl)acetamide
PubChem CID50978665
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-2-(1,2,3,6-tetrahydropyridin-4-yl)acetamide
SMILESO=C(CC1=CCNCC1)N(Cc1ccccn1)CC1CCCO1
InChIInChI=1S/C18H25N3O2/c22-18(12-15-6-9-19-10-7-15)21(14-17-5-3-11-23-17)13-16-4-1-2-8-20-16/h1-2,4,6,8,17,19H,3,5,7,9-14H2
InChIKeyKPYNAZNIVWDMFG-UHFFFAOYSA-N
XLogP1.90
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-2-(1,2,3,6-tetrahydropyridin-4-yl)acetamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-2-(1,2,3,6-tetrahydropyridin-4-yl)acetamide (CID 50978665) is N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-2-(1,2,3,6-tetrahydropyridin-4-yl)acetamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-2-(1,2,3,6-tetrahydropyridin-4-yl)acetamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-2-(1,2,3,6-tetrahydropyridin-4-yl)acetamide is O=C(CC1=CCNCC1)N(Cc1ccccn1)CC1CCCO1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-2-(1,2,3,6-tetrahydropyridin-4-yl)acetamide?
The InChIKey is KPYNAZNIVWDMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c22-18(12-15-6-9-19-10-7-15)21(14-17-5-3-11-23-17)13-16-4-1-2-8-20-16/h1-2,4,6,8,17,19H,3,5,7,9-14H2.
What are the key properties of N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-2-(1,2,3,6-tetrahydropyridin-4-yl)acetamide?
N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-2-(1,2,3,6-tetrahydropyridin-4-yl)acetamide has a molecular weight of 315.42 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-2-(1,2,3,6-tetrahydropyridin-4-yl)acetamide is sourced from PubChem (CID 50978665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).