N-[1-(1-phenylethyl)pyrrolidin-3-yl]-3-pyrazin-2-ylprop-2-enamide

C19H22N4O — CID 91942589

IUPACN-[1-(1-phenylethyl)pyrrolidin-3-yl]-3-pyrazin-2-ylprop-2-enamide
SMILESCC(c1ccccc1)N1CCC(NC(=O)C=Cc2cnccn2)C1
InChIInChI=1S/C19H22N4O/c1-15(16-5-3-2-4-6-16)23-12-9-18(14-23)22-19(24)8-7-17-13-20-10-11-21-17/h2-8,10-11,13,15,18H,9,12,14H2,1H3,(H,22,24)
InChIKeyIYEOWNZRJDJWAV-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.44
Rot. Bonds5

About N-[1-(1-phenylethyl)pyrrolidin-3-yl]-3-pyrazin-2-ylprop-2-enamide

N-[1-(1-phenylethyl)pyrrolidin-3-yl]-3-pyrazin-2-ylprop-2-enamide (PubChem CID 91942589) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[1-(1-phenylethyl)pyrrolidin-3-yl]-3-pyrazin-2-ylprop-2-enamide.

Molecular Properties

Compound NameN-[1-(1-phenylethyl)pyrrolidin-3-yl]-3-pyrazin-2-ylprop-2-enamide
PubChem CID91942589
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC NameN-[1-(1-phenylethyl)pyrrolidin-3-yl]-3-pyrazin-2-ylprop-2-enamide
SMILESCC(c1ccccc1)N1CCC(NC(=O)C=Cc2cnccn2)C1
InChIInChI=1S/C19H22N4O/c1-15(16-5-3-2-4-6-16)23-12-9-18(14-23)22-19(24)8-7-17-13-20-10-11-21-17/h2-8,10-11,13,15,18H,9,12,14H2,1H3,(H,22,24)
InChIKeyIYEOWNZRJDJWAV-UHFFFAOYSA-N
XLogP2.44
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[1-(1-phenylethyl)pyrrolidin-3-yl]-3-pyrazin-2-ylprop-2-enamide with MolForge

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

Launch Full Analysis

Related Compounds

N-hydroxy-3-[5-[[(3R)-1-(1-phenylethyl)pyrrolidin-3-yl]amino]pyrazin-2-yl]prop-2-enamide
CID 136629773
N-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]pyridine-3-carboxamide
CID 94536313
2-methyl-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]propanamide
CID 94197653
2-methyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]propanamide
CID 47070507
N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]pyridine-2-carboxamide
CID 94536296
N-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]propanamide
CID 98726634
1-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-3-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]urea
CID 100838749
3,5-dimethyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]piperidine-1-carboxamide
CID 60569671
1-cyclopropyl-3-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]thiourea
CID 98760713
(E)-N-[phenyl(pyridin-4-yl)methyl]-3-pyrazin-2-ylprop-2-enamide
CID 75363884
1-(1-phenylethyl)-N-(pyridin-3-ylmethyl)pyrrolidin-3-amine
CID 56827336
tert-butyl N-[(3R)-1-[(1S)-1-pyrazin-2-ylethyl]pyrrolidin-3-yl]carbamate
CID 97175522

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-phenylethyl)pyrrolidin-3-yl]-3-pyrazin-2-ylprop-2-enamide?
The IUPAC name of N-[1-(1-phenylethyl)pyrrolidin-3-yl]-3-pyrazin-2-ylprop-2-enamide (CID 91942589) is N-[1-(1-phenylethyl)pyrrolidin-3-yl]-3-pyrazin-2-ylprop-2-enamide.
What is the SMILES notation for N-[1-(1-phenylethyl)pyrrolidin-3-yl]-3-pyrazin-2-ylprop-2-enamide?
The canonical SMILES for N-[1-(1-phenylethyl)pyrrolidin-3-yl]-3-pyrazin-2-ylprop-2-enamide is CC(c1ccccc1)N1CCC(NC(=O)C=Cc2cnccn2)C1.
What is the InChIKey of N-[1-(1-phenylethyl)pyrrolidin-3-yl]-3-pyrazin-2-ylprop-2-enamide?
The InChIKey is IYEOWNZRJDJWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-15(16-5-3-2-4-6-16)23-12-9-18(14-23)22-19(24)8-7-17-13-20-10-11-21-17/h2-8,10-11,13,15,18H,9,12,14H2,1H3,(H,22,24).
What are the key properties of N-[1-(1-phenylethyl)pyrrolidin-3-yl]-3-pyrazin-2-ylprop-2-enamide?
N-[1-(1-phenylethyl)pyrrolidin-3-yl]-3-pyrazin-2-ylprop-2-enamide has a molecular weight of 322.41 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-phenylethyl)pyrrolidin-3-yl]-3-pyrazin-2-ylprop-2-enamide is sourced from PubChem (CID 91942589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).