2-methyl-N-[2-[4-[(1S)-1-morpholin-4-ylethyl]phenyl]-3-pyridinyl]propanamide

C21H27N3O2 — CID 95140797

IUPAC2-methyl-N-[2-[4-[(1S)-1-morpholin-4-ylethyl]phenyl]-3-pyridinyl]propanamide
SMILESCC(C)C(=O)Nc1cccnc1-c1ccc([C@H](C)N2CCOCC2)cc1
InChIInChI=1S/C21H27N3O2/c1-15(2)21(25)23-19-5-4-10-22-20(19)18-8-6-17(7-9-18)16(3)24-11-13-26-14-12-24/h4-10,15-16H,11-14H2,1-3H3,(H,23,25)/t16-/m0/s1
InChIKeyPQXNGNNZOBQCAL-INIZCTEOSA-N
MW353.47 g/mol
LogP3.74
Rot. Bonds5

About 2-methyl-N-[2-[4-[(1S)-1-morpholin-4-ylethyl]phenyl]-3-pyridinyl]propanamide

2-methyl-N-[2-[4-[(1S)-1-morpholin-4-ylethyl]phenyl]-3-pyridinyl]propanamide (PubChem CID 95140797) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-methyl-N-[2-[4-[(1S)-1-morpholin-4-ylethyl]phenyl]-3-pyridinyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-[4-[(1S)-1-morpholin-4-ylethyl]phenyl]-3-pyridinyl]propanamide
PubChem CID95140797
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name2-methyl-N-[2-[4-[(1S)-1-morpholin-4-ylethyl]phenyl]-3-pyridinyl]propanamide
SMILESCC(C)C(=O)Nc1cccnc1-c1ccc([C@H](C)N2CCOCC2)cc1
InChIInChI=1S/C21H27N3O2/c1-15(2)21(25)23-19-5-4-10-22-20(19)18-8-6-17(7-9-18)16(3)24-11-13-26-14-12-24/h4-10,15-16H,11-14H2,1-3H3,(H,23,25)/t16-/m0/s1
InChIKeyPQXNGNNZOBQCAL-INIZCTEOSA-N
XLogP3.74
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[2-[4-[(1S)-1-morpholin-4-ylethyl]phenyl]-3-pyridinyl]propanamide 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 2-methyl-N-[2-[4-[(1S)-1-morpholin-4-ylethyl]phenyl]-3-pyridinyl]propanamide?
The IUPAC name of 2-methyl-N-[2-[4-[(1S)-1-morpholin-4-ylethyl]phenyl]-3-pyridinyl]propanamide (CID 95140797) is 2-methyl-N-[2-[4-[(1S)-1-morpholin-4-ylethyl]phenyl]-3-pyridinyl]propanamide.
What is the SMILES notation for 2-methyl-N-[2-[4-[(1S)-1-morpholin-4-ylethyl]phenyl]-3-pyridinyl]propanamide?
The canonical SMILES for 2-methyl-N-[2-[4-[(1S)-1-morpholin-4-ylethyl]phenyl]-3-pyridinyl]propanamide is CC(C)C(=O)Nc1cccnc1-c1ccc([C@H](C)N2CCOCC2)cc1.
What is the InChIKey of 2-methyl-N-[2-[4-[(1S)-1-morpholin-4-ylethyl]phenyl]-3-pyridinyl]propanamide?
The InChIKey is PQXNGNNZOBQCAL-INIZCTEOSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-15(2)21(25)23-19-5-4-10-22-20(19)18-8-6-17(7-9-18)16(3)24-11-13-26-14-12-24/h4-10,15-16H,11-14H2,1-3H3,(H,23,25)/t16-/m0/s1.
What are the key properties of 2-methyl-N-[2-[4-[(1S)-1-morpholin-4-ylethyl]phenyl]-3-pyridinyl]propanamide?
2-methyl-N-[2-[4-[(1S)-1-morpholin-4-ylethyl]phenyl]-3-pyridinyl]propanamide has a molecular weight of 353.47 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[4-[(1S)-1-morpholin-4-ylethyl]phenyl]-3-pyridinyl]propanamide is sourced from PubChem (CID 95140797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).