N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide

C24H21N5O3 — CID 56506787

IUPACN-[3-(1,3-dioxoisoindol-2-yl)phenyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
SMILESO=C(Nc1cccc(N2C(=O)c3ccccc3C2=O)c1)C1CCN(c2ncccn2)CC1
InChIInChI=1S/C24H21N5O3/c30-21(16-9-13-28(14-10-16)24-25-11-4-12-26-24)27-17-5-3-6-18(15-17)29-22(31)19-7-1-2-8-20(19)23(29)32/h1-8,11-12,15-16H,9-10,13-14H2,(H,27,30)
InChIKeyHPMZKXAYKNJFPB-UHFFFAOYSA-N
MW427.46 g/mol
LogP3.13
Rot. Bonds4

About N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide

N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide (PubChem CID 56506787) has the molecular formula C24H21N5O3 and a molecular weight of 427.46 g/mol. Its IUPAC name is N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(1,3-dioxoisoindol-2-yl)phenyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
PubChem CID56506787
Molecular FormulaC24H21N5O3
Molecular Weight427.46 g/mol
Exact Mass427.16
IUPAC NameN-[3-(1,3-dioxoisoindol-2-yl)phenyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
SMILESO=C(Nc1cccc(N2C(=O)c3ccccc3C2=O)c1)C1CCN(c2ncccn2)CC1
InChIInChI=1S/C24H21N5O3/c30-21(16-9-13-28(14-10-16)24-25-11-4-12-26-24)27-17-5-3-6-18(15-17)29-22(31)19-7-1-2-8-20(19)23(29)32/h1-8,11-12,15-16H,9-10,13-14H2,(H,27,30)
InChIKeyHPMZKXAYKNJFPB-UHFFFAOYSA-N
XLogP3.13
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 55778383
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 56508446
3-amino-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119773958
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-1-propanoylpiperidine-3-carboxamide
CID 56508448
5-chloro-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 56507678
N-[4-methyl-3-(trifluoromethyl)phenyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 11537864
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-2-pyrrolidin-1-ylacetamide
CID 168518228
N-phenyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109149397
N-(4-ethylphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 3223112
N-(4-methoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 3223122
N-(4-methyl-3-sulfamoylphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 47048097
1-[2-(azepan-1-yl)pyrimidin-5-yl]-N-(3-methylphenyl)piperidine-4-carboxamide
CID 53146288

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide (CID 56506787) is N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide is O=C(Nc1cccc(N2C(=O)c3ccccc3C2=O)c1)C1CCN(c2ncccn2)CC1.
What is the InChIKey of N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The InChIKey is HPMZKXAYKNJFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O3/c30-21(16-9-13-28(14-10-16)24-25-11-4-12-26-24)27-17-5-3-6-18(15-17)29-22(31)19-7-1-2-8-20(19)23(29)32/h1-8,11-12,15-16H,9-10,13-14H2,(H,27,30).
What are the key properties of N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide?
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide has a molecular weight of 427.46 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-dioxoisoindol-2-yl)phenyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 56506787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).