(2S)-2-(cyclopropylmethoxy)-N-pyridin-4-ylpropanamide

C12H16N2O2 — CID 95236352

IUPAC(2S)-2-(cyclopropylmethoxy)-N-pyridin-4-ylpropanamide
SMILESC[C@H](OCC1CC1)C(=O)Nc1ccncc1
InChIInChI=1S/C12H16N2O2/c1-9(16-8-10-2-3-10)12(15)14-11-4-6-13-7-5-11/h4-7,9-10H,2-3,8H2,1H3,(H,13,14,15)/t9-/m0/s1
InChIKeyZBBPABRESHYOSK-VIFPVBQESA-N
MW220.27 g/mol
LogP1.84
Rot. Bonds5

About (2S)-2-(cyclopropylmethoxy)-N-pyridin-4-ylpropanamide

(2S)-2-(cyclopropylmethoxy)-N-pyridin-4-ylpropanamide (PubChem CID 95236352) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is (2S)-2-(cyclopropylmethoxy)-N-pyridin-4-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-(cyclopropylmethoxy)-N-pyridin-4-ylpropanamide
PubChem CID95236352
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name(2S)-2-(cyclopropylmethoxy)-N-pyridin-4-ylpropanamide
SMILESC[C@H](OCC1CC1)C(=O)Nc1ccncc1
InChIInChI=1S/C12H16N2O2/c1-9(16-8-10-2-3-10)12(15)14-11-4-6-13-7-5-11/h4-7,9-10H,2-3,8H2,1H3,(H,13,14,15)/t9-/m0/s1
InChIKeyZBBPABRESHYOSK-VIFPVBQESA-N
XLogP1.84
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-(cyclopropylmethoxy)-N-pyridin-4-ylpropanamide 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 (2S)-2-(cyclopropylmethoxy)-N-pyridin-4-ylpropanamide?
The IUPAC name of (2S)-2-(cyclopropylmethoxy)-N-pyridin-4-ylpropanamide (CID 95236352) is (2S)-2-(cyclopropylmethoxy)-N-pyridin-4-ylpropanamide.
What is the SMILES notation for (2S)-2-(cyclopropylmethoxy)-N-pyridin-4-ylpropanamide?
The canonical SMILES for (2S)-2-(cyclopropylmethoxy)-N-pyridin-4-ylpropanamide is C[C@H](OCC1CC1)C(=O)Nc1ccncc1.
What is the InChIKey of (2S)-2-(cyclopropylmethoxy)-N-pyridin-4-ylpropanamide?
The InChIKey is ZBBPABRESHYOSK-VIFPVBQESA-N. The full InChI is InChI=1S/C12H16N2O2/c1-9(16-8-10-2-3-10)12(15)14-11-4-6-13-7-5-11/h4-7,9-10H,2-3,8H2,1H3,(H,13,14,15)/t9-/m0/s1.
What are the key properties of (2S)-2-(cyclopropylmethoxy)-N-pyridin-4-ylpropanamide?
(2S)-2-(cyclopropylmethoxy)-N-pyridin-4-ylpropanamide has a molecular weight of 220.27 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(cyclopropylmethoxy)-N-pyridin-4-ylpropanamide is sourced from PubChem (CID 95236352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).