N-(tert-butylcarbamoyl)-2-[3-(pyridin-4-ylmethyl)pyrrolidin-1-yl]acetamide

C17H26N4O2 — CID 136530331

IUPACN-(tert-butylcarbamoyl)-2-[3-(pyridin-4-ylmethyl)pyrrolidin-1-yl]acetamide
SMILESCC(C)(C)NC(=O)NC(=O)CN1CCC(Cc2ccncc2)C1
InChIInChI=1S/C17H26N4O2/c1-17(2,3)20-16(23)19-15(22)12-21-9-6-14(11-21)10-13-4-7-18-8-5-13/h4-5,7-8,14H,6,9-12H2,1-3H3,(H2,19,20,22,23)
InChIKeyKTXRTEHAEQLHMW-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.57
Rot. Bonds4

About N-(tert-butylcarbamoyl)-2-[3-(pyridin-4-ylmethyl)pyrrolidin-1-yl]acetamide

N-(tert-butylcarbamoyl)-2-[3-(pyridin-4-ylmethyl)pyrrolidin-1-yl]acetamide (PubChem CID 136530331) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-(tert-butylcarbamoyl)-2-[3-(pyridin-4-ylmethyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(tert-butylcarbamoyl)-2-[3-(pyridin-4-ylmethyl)pyrrolidin-1-yl]acetamide
PubChem CID136530331
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC NameN-(tert-butylcarbamoyl)-2-[3-(pyridin-4-ylmethyl)pyrrolidin-1-yl]acetamide
SMILESCC(C)(C)NC(=O)NC(=O)CN1CCC(Cc2ccncc2)C1
InChIInChI=1S/C17H26N4O2/c1-17(2,3)20-16(23)19-15(22)12-21-9-6-14(11-21)10-13-4-7-18-8-5-13/h4-5,7-8,14H,6,9-12H2,1-3H3,(H2,19,20,22,23)
InChIKeyKTXRTEHAEQLHMW-UHFFFAOYSA-N
XLogP1.57
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(tert-butylcarbamoyl)-2-[3-(pyridin-4-ylmethyl)pyrrolidin-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(tert-butylcarbamoyl)-2-[3-(pyridin-4-ylmethyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(tert-butylcarbamoyl)-2-[3-(pyridin-4-ylmethyl)pyrrolidin-1-yl]acetamide (CID 136530331) is N-(tert-butylcarbamoyl)-2-[3-(pyridin-4-ylmethyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(tert-butylcarbamoyl)-2-[3-(pyridin-4-ylmethyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(tert-butylcarbamoyl)-2-[3-(pyridin-4-ylmethyl)pyrrolidin-1-yl]acetamide is CC(C)(C)NC(=O)NC(=O)CN1CCC(Cc2ccncc2)C1.
What is the InChIKey of N-(tert-butylcarbamoyl)-2-[3-(pyridin-4-ylmethyl)pyrrolidin-1-yl]acetamide?
The InChIKey is KTXRTEHAEQLHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-17(2,3)20-16(23)19-15(22)12-21-9-6-14(11-21)10-13-4-7-18-8-5-13/h4-5,7-8,14H,6,9-12H2,1-3H3,(H2,19,20,22,23).
What are the key properties of N-(tert-butylcarbamoyl)-2-[3-(pyridin-4-ylmethyl)pyrrolidin-1-yl]acetamide?
N-(tert-butylcarbamoyl)-2-[3-(pyridin-4-ylmethyl)pyrrolidin-1-yl]acetamide has a molecular weight of 318.42 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(tert-butylcarbamoyl)-2-[3-(pyridin-4-ylmethyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 136530331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).