N-[1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidin-3-yl]formamide

C21H26N6O2 — CID 150527154

IUPACN-[1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidin-3-yl]formamide
SMILESO=CNC1CCN(CC(=O)N2CCN(c3ccc(-c4ncccn4)cc3)CC2)C1
InChIInChI=1S/C21H26N6O2/c28-16-24-18-6-9-25(14-18)15-20(29)27-12-10-26(11-13-27)19-4-2-17(3-5-19)21-22-7-1-8-23-21/h1-5,7-8,16,18H,6,9-15H2,(H,24,28)
InChIKeyIDBDNQLINBYHKN-UHFFFAOYSA-N
MW394.48 g/mol
LogP0.61
Rot. Bonds6

About N-[1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidin-3-yl]formamide

N-[1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidin-3-yl]formamide (PubChem CID 150527154) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is N-[1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidin-3-yl]formamide.

Molecular Properties

Compound NameN-[1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidin-3-yl]formamide
PubChem CID150527154
Molecular FormulaC21H26N6O2
Molecular Weight394.48 g/mol
Exact Mass394.21
IUPAC NameN-[1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidin-3-yl]formamide
SMILESO=CNC1CCN(CC(=O)N2CCN(c3ccc(-c4ncccn4)cc3)CC2)C1
InChIInChI=1S/C21H26N6O2/c28-16-24-18-6-9-25(14-18)15-20(29)27-12-10-26(11-13-27)19-4-2-17(3-5-19)21-22-7-1-8-23-21/h1-5,7-8,16,18H,6,9-15H2,(H,24,28)
InChIKeyIDBDNQLINBYHKN-UHFFFAOYSA-N
XLogP0.61
TPSA81.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(3R)-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]-N-(3-pyridin-4-yl-1H-indazol-5-yl)pyrrolidine-3-carboxamide
CID 24866313
N-[(3S)-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidin-3-yl]-3-piperazin-1-yl-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 135306756
N-[(3R)-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidin-3-yl]-3-pyridin-3-yl-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 135306818
3-(2-methyl-4-pyridinyl)-N-[1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidin-3-yl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 135306776
2-[(3S)-3-(3-imidazol-1-ylthiophen-2-yl)pyrrolidin-1-yl]-1-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethanone
CID 175218203
2-(3-bromo-2H-indazol-5-yl)-1-[(3R)-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidin-3-yl]ethanone
CID 159959347
2-[(3S)-3-[[(3-pyridin-4-yl-1H-indazol-5-yl)amino]methoxymethyl]pyrrolidin-1-yl]-1-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethanone
CID 143815086
2-[(3R)-3-[3-(4-fluorophenyl)-1H-pyrazolo[5,4-g]quinazolin-6-yl]pyrrolidin-1-yl]-1-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethanone
CID 25134118
N-butyl-5-[[(3R)-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carbonyl]amino]-1H-indazole-3-carboxamide
CID 58946499
2-(diethylamino)-1-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethanone;methyl formate
CID 143530105
(3R)-N-(3-chloro-4-hydroxyphenyl)-1-[2-[4-[4-(5-cyclopropylpyrimidin-2-yl)phenyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide
CID 24996695
ethane;methyl 3-(1-methoxyethyl)-1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidine-3-carboxylate
CID 143530072

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidin-3-yl]formamide?
The IUPAC name of N-[1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidin-3-yl]formamide (CID 150527154) is N-[1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidin-3-yl]formamide.
What is the SMILES notation for N-[1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidin-3-yl]formamide?
The canonical SMILES for N-[1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidin-3-yl]formamide is O=CNC1CCN(CC(=O)N2CCN(c3ccc(-c4ncccn4)cc3)CC2)C1.
What is the InChIKey of N-[1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidin-3-yl]formamide?
The InChIKey is IDBDNQLINBYHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2/c28-16-24-18-6-9-25(14-18)15-20(29)27-12-10-26(11-13-27)19-4-2-17(3-5-19)21-22-7-1-8-23-21/h1-5,7-8,16,18H,6,9-15H2,(H,24,28).
What are the key properties of N-[1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidin-3-yl]formamide?
N-[1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidin-3-yl]formamide has a molecular weight of 394.48 g/mol, XLogP of 0.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-oxo-2-[4-(4-pyrimidin-2-ylphenyl)piperazin-1-yl]ethyl]pyrrolidin-3-yl]formamide is sourced from PubChem (CID 150527154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).