N-[(3R,4S)-4-cyclopropyl-1-(oxan-4-yl)pyrrolidin-3-yl]-3-(2-oxo-1-pyridinyl)propanamide;hydrochloride

C20H30ClN3O3 — CID 154897858

IUPACN-[(3R,4S)-4-cyclopropyl-1-(oxan-4-yl)pyrrolidin-3-yl]-3-(2-oxo-1-pyridinyl)propanamide;hydrochloride
SMILESCl.O=C(CCn1ccccc1=O)N[C@H]1CN(C2CCOCC2)C[C@@H]1C1CC1
InChIInChI=1S/C20H29N3O3.ClH/c24-19(6-10-22-9-2-1-3-20(22)25)21-18-14-23(13-17(18)15-4-5-15)16-7-11-26-12-8-16;/h1-3,9,15-18H,4-8,10-14H2,(H,21,24);1H/t17-,18+;/m1./s1
InChIKeyUEJKEOZERVUMLY-URBRKQAFSA-N
MW395.93 g/mol
LogP1.67
Rot. Bonds6

About N-[(3R,4S)-4-cyclopropyl-1-(oxan-4-yl)pyrrolidin-3-yl]-3-(2-oxo-1-pyridinyl)propanamide;hydrochloride

N-[(3R,4S)-4-cyclopropyl-1-(oxan-4-yl)pyrrolidin-3-yl]-3-(2-oxo-1-pyridinyl)propanamide;hydrochloride (PubChem CID 154897858) has the molecular formula C20H30ClN3O3 and a molecular weight of 395.93 g/mol. Its IUPAC name is N-[(3R,4S)-4-cyclopropyl-1-(oxan-4-yl)pyrrolidin-3-yl]-3-(2-oxo-1-pyridinyl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-[(3R,4S)-4-cyclopropyl-1-(oxan-4-yl)pyrrolidin-3-yl]-3-(2-oxo-1-pyridinyl)propanamide;hydrochloride
PubChem CID154897858
Molecular FormulaC20H30ClN3O3
Molecular Weight395.93 g/mol
Exact Mass395.20
IUPAC NameN-[(3R,4S)-4-cyclopropyl-1-(oxan-4-yl)pyrrolidin-3-yl]-3-(2-oxo-1-pyridinyl)propanamide;hydrochloride
SMILESCl.O=C(CCn1ccccc1=O)N[C@H]1CN(C2CCOCC2)C[C@@H]1C1CC1
InChIInChI=1S/C20H29N3O3.ClH/c24-19(6-10-22-9-2-1-3-20(22)25)21-18-14-23(13-17(18)15-4-5-15)16-7-11-26-12-8-16;/h1-3,9,15-18H,4-8,10-14H2,(H,21,24);1H/t17-,18+;/m1./s1
InChIKeyUEJKEOZERVUMLY-URBRKQAFSA-N
XLogP1.67
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.93
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3R,4S)-4-cyclopropyl-1-(oxan-4-yl)pyrrolidin-3-yl]-3-(2-oxo-1-pyridinyl)propanamide;hydrochloride 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-[(3R,4S)-4-cyclopropyl-1-(oxan-4-yl)pyrrolidin-3-yl]-3-(2-oxo-1-pyridinyl)propanamide;hydrochloride?
The IUPAC name of N-[(3R,4S)-4-cyclopropyl-1-(oxan-4-yl)pyrrolidin-3-yl]-3-(2-oxo-1-pyridinyl)propanamide;hydrochloride (CID 154897858) is N-[(3R,4S)-4-cyclopropyl-1-(oxan-4-yl)pyrrolidin-3-yl]-3-(2-oxo-1-pyridinyl)propanamide;hydrochloride.
What is the SMILES notation for N-[(3R,4S)-4-cyclopropyl-1-(oxan-4-yl)pyrrolidin-3-yl]-3-(2-oxo-1-pyridinyl)propanamide;hydrochloride?
The canonical SMILES for N-[(3R,4S)-4-cyclopropyl-1-(oxan-4-yl)pyrrolidin-3-yl]-3-(2-oxo-1-pyridinyl)propanamide;hydrochloride is Cl.O=C(CCn1ccccc1=O)N[C@H]1CN(C2CCOCC2)C[C@@H]1C1CC1.
What is the InChIKey of N-[(3R,4S)-4-cyclopropyl-1-(oxan-4-yl)pyrrolidin-3-yl]-3-(2-oxo-1-pyridinyl)propanamide;hydrochloride?
The InChIKey is UEJKEOZERVUMLY-URBRKQAFSA-N. The full InChI is InChI=1S/C20H29N3O3.ClH/c24-19(6-10-22-9-2-1-3-20(22)25)21-18-14-23(13-17(18)15-4-5-15)16-7-11-26-12-8-16;/h1-3,9,15-18H,4-8,10-14H2,(H,21,24);1H/t17-,18+;/m1./s1.
What are the key properties of N-[(3R,4S)-4-cyclopropyl-1-(oxan-4-yl)pyrrolidin-3-yl]-3-(2-oxo-1-pyridinyl)propanamide;hydrochloride?
N-[(3R,4S)-4-cyclopropyl-1-(oxan-4-yl)pyrrolidin-3-yl]-3-(2-oxo-1-pyridinyl)propanamide;hydrochloride has a molecular weight of 395.93 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-cyclopropyl-1-(oxan-4-yl)pyrrolidin-3-yl]-3-(2-oxo-1-pyridinyl)propanamide;hydrochloride is sourced from PubChem (CID 154897858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).