N-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide

C16H21N3O2 — CID 125442656

IUPACN-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESCc1ccnc([C@@H](NC(=O)CN2CCCC2=O)C2CC2)c1
InChIInChI=1S/C16H21N3O2/c1-11-6-7-17-13(9-11)16(12-4-5-12)18-14(20)10-19-8-2-3-15(19)21/h6-7,9,12,16H,2-5,8,10H2,1H3,(H,18,20)/t16-/m0/s1
InChIKeyOZCQAIXHDLHCMU-INIZCTEOSA-N
MW287.36 g/mol
LogP1.58
Rot. Bonds5

About N-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide

N-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide (PubChem CID 125442656) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
PubChem CID125442656
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESCc1ccnc([C@@H](NC(=O)CN2CCCC2=O)C2CC2)c1
InChIInChI=1S/C16H21N3O2/c1-11-6-7-17-13(9-11)16(12-4-5-12)18-14(20)10-19-8-2-3-15(19)21/h6-7,9,12,16H,2-5,8,10H2,1H3,(H,18,20)/t16-/m0/s1
InChIKeyOZCQAIXHDLHCMU-INIZCTEOSA-N
XLogP1.58
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The IUPAC name of N-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide (CID 125442656) is N-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The canonical SMILES for N-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide is Cc1ccnc([C@@H](NC(=O)CN2CCCC2=O)C2CC2)c1.
What is the InChIKey of N-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The InChIKey is OZCQAIXHDLHCMU-INIZCTEOSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11-6-7-17-13(9-11)16(12-4-5-12)18-14(20)10-19-8-2-3-15(19)21/h6-7,9,12,16H,2-5,8,10H2,1H3,(H,18,20)/t16-/m0/s1.
What are the key properties of N-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
N-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide has a molecular weight of 287.36 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide is sourced from PubChem (CID 125442656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).