4-(2-amino-3-hydroxypropanoyl)-N-[1-[4-[2-(3-aminopyrrolidin-1-yl)ethyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide

C24H34N8O4 — CID 154652359

IUPAC4-(2-amino-3-hydroxypropanoyl)-N-[1-[4-[2-(3-aminopyrrolidin-1-yl)ethyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide
SMILESNC1CCN(CCc2ccc(-n3ccc(NC(=O)N4CCN(C(=O)C(N)CO)CC4)nc3=O)cc2)C1
InChIInChI=1S/C24H34N8O4/c25-18-6-9-29(15-18)8-5-17-1-3-19(4-2-17)32-10-7-21(28-24(32)36)27-23(35)31-13-11-30(12-14-31)22(34)20(26)16-33/h1-4,7,10,18,20,33H,5-6,8-9,11-16,25-26H2,(H,27,28,35,36)
InChIKeyZWTWNNQJQGFEHM-UHFFFAOYSA-N
MW498.59 g/mol
LogP-1.20
Rot. Bonds7

About 4-(2-amino-3-hydroxypropanoyl)-N-[1-[4-[2-(3-aminopyrrolidin-1-yl)ethyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide

4-(2-amino-3-hydroxypropanoyl)-N-[1-[4-[2-(3-aminopyrrolidin-1-yl)ethyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide (PubChem CID 154652359) has the molecular formula C24H34N8O4 and a molecular weight of 498.59 g/mol. Its IUPAC name is 4-(2-amino-3-hydroxypropanoyl)-N-[1-[4-[2-(3-aminopyrrolidin-1-yl)ethyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-amino-3-hydroxypropanoyl)-N-[1-[4-[2-(3-aminopyrrolidin-1-yl)ethyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide
PubChem CID154652359
Molecular FormulaC24H34N8O4
Molecular Weight498.59 g/mol
Exact Mass498.27
IUPAC Name4-(2-amino-3-hydroxypropanoyl)-N-[1-[4-[2-(3-aminopyrrolidin-1-yl)ethyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide
SMILESNC1CCN(CCc2ccc(-n3ccc(NC(=O)N4CCN(C(=O)C(N)CO)CC4)nc3=O)cc2)C1
InChIInChI=1S/C24H34N8O4/c25-18-6-9-29(15-18)8-5-17-1-3-19(4-2-17)32-10-7-21(28-24(32)36)27-23(35)31-13-11-30(12-14-31)22(34)20(26)16-33/h1-4,7,10,18,20,33H,5-6,8-9,11-16,25-26H2,(H,27,28,35,36)
InChIKeyZWTWNNQJQGFEHM-UHFFFAOYSA-N
XLogP-1.20
TPSA163.05 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.59
LogP ≤ 5-1.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 4-(2-amino-3-hydroxypropanoyl)-N-[1-[4-[2-(3-aminopyrrolidin-1-yl)ethyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide 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-[1-[4-[2-(4-aminoazepan-1-yl)ethyl]phenyl]-2-oxopyrimidin-4-yl]-4-[(2S)-2-amino-3-methylbutanoyl]piperazine-1-carboxamide;hydrochloride
CID 162716187
4-(2-amino-3-hydroxypropanoyl)-N-[1-[4-[[(5S)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide
CID 155006292
4-(2-amino-3-hydroxypropanoyl)-N-[1-(4-formylphenyl)-2-oxopyrimidin-4-yl]piperazine-1-carboxamide
CID 154651071
N-[1-[4-[2-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]ethyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide
CID 168747756
N-[1-[4-[2-[(4S)-4-aminoazepan-1-yl]ethyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide
CID 154651231
3-amino-N-[1-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-2-oxopyrimidin-4-yl]pyrrolidine-1-carboxamide;hydrochloride
CID 154997529
4-(2-amino-2-methylpropanoyl)-N-[1-[4-[2-[(3S)-3-aminopiperidin-1-yl]ethyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 154997603
N-[1-[4-[2-[(4R)-4-aminoazepan-1-yl]ethyl]phenyl]-2-oxopyrimidin-4-yl]-4-(2-amino-2-methylpropanoyl)piperazine-1-carboxamide;hydrochloride
CID 154651978
N-[1-[4-[2-(1-amino-3-azabicyclo[3.1.1]heptan-3-yl)ethyl]phenyl]-2-oxopyrimidin-4-yl]-4-(3-hydroxy-2-methylpropanoyl)piperazine-1-carboxamide
CID 154650934
(3R)-3-amino-N-[1-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]-2-oxopyrimidin-4-yl]piperidine-1-carboxamide;hydrochloride
CID 154651532
N-[1-[4-[(2S)-2-amino-3-(3-aminoazetidin-1-yl)-3-oxopropyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide
CID 155008500
N-[1-[4-[(2S)-2-amino-3-(4-aminoazepan-1-yl)-3-oxopropyl]phenyl]-2-oxopyrimidin-4-yl]-4-(2-amino-2-methylpropanoyl)piperazine-1-carboxamide
CID 154651386

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-3-hydroxypropanoyl)-N-[1-[4-[2-(3-aminopyrrolidin-1-yl)ethyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide?
The IUPAC name of 4-(2-amino-3-hydroxypropanoyl)-N-[1-[4-[2-(3-aminopyrrolidin-1-yl)ethyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide (CID 154652359) is 4-(2-amino-3-hydroxypropanoyl)-N-[1-[4-[2-(3-aminopyrrolidin-1-yl)ethyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-amino-3-hydroxypropanoyl)-N-[1-[4-[2-(3-aminopyrrolidin-1-yl)ethyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2-amino-3-hydroxypropanoyl)-N-[1-[4-[2-(3-aminopyrrolidin-1-yl)ethyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide is NC1CCN(CCc2ccc(-n3ccc(NC(=O)N4CCN(C(=O)C(N)CO)CC4)nc3=O)cc2)C1.
What is the InChIKey of 4-(2-amino-3-hydroxypropanoyl)-N-[1-[4-[2-(3-aminopyrrolidin-1-yl)ethyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide?
The InChIKey is ZWTWNNQJQGFEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N8O4/c25-18-6-9-29(15-18)8-5-17-1-3-19(4-2-17)32-10-7-21(28-24(32)36)27-23(35)31-13-11-30(12-14-31)22(34)20(26)16-33/h1-4,7,10,18,20,33H,5-6,8-9,11-16,25-26H2,(H,27,28,35,36).
What are the key properties of 4-(2-amino-3-hydroxypropanoyl)-N-[1-[4-[2-(3-aminopyrrolidin-1-yl)ethyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide?
4-(2-amino-3-hydroxypropanoyl)-N-[1-[4-[2-(3-aminopyrrolidin-1-yl)ethyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide has a molecular weight of 498.59 g/mol, XLogP of -1.20, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-3-hydroxypropanoyl)-N-[1-[4-[2-(3-aminopyrrolidin-1-yl)ethyl]phenyl]-2-oxopyrimidin-4-yl]piperazine-1-carboxamide is sourced from PubChem (CID 154652359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).