N-[2-[(3S)-1-fluoro-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]pyrimidine-4-carboxamide

C18H14FN5O4 — CID 174375109

IUPACN-[2-[(3S)-1-fluoro-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)CN([C@H]1CCC(=O)N(F)C1=O)C2=O)c1ccncn1
InChIInChI=1S/C18H14FN5O4/c19-24-15(25)4-3-14(18(24)28)23-8-10-7-11(1-2-12(10)17(23)27)22-16(26)13-5-6-20-9-21-13/h1-2,5-7,9,14H,3-4,8H2,(H,22,26)/t14-/m0/s1
InChIKeyFFQAKWGURBCDKD-AWEZNQCLSA-N
MW383.34 g/mol
LogP1.09
Rot. Bonds3

About N-[2-[(3S)-1-fluoro-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]pyrimidine-4-carboxamide

N-[2-[(3S)-1-fluoro-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]pyrimidine-4-carboxamide (PubChem CID 174375109) has the molecular formula C18H14FN5O4 and a molecular weight of 383.34 g/mol. Its IUPAC name is N-[2-[(3S)-1-fluoro-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(3S)-1-fluoro-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]pyrimidine-4-carboxamide
PubChem CID174375109
Molecular FormulaC18H14FN5O4
Molecular Weight383.34 g/mol
Exact Mass383.10
IUPAC NameN-[2-[(3S)-1-fluoro-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)CN([C@H]1CCC(=O)N(F)C1=O)C2=O)c1ccncn1
InChIInChI=1S/C18H14FN5O4/c19-24-15(25)4-3-14(18(24)28)23-8-10-7-11(1-2-12(10)17(23)27)22-16(26)13-5-6-20-9-21-13/h1-2,5-7,9,14H,3-4,8H2,(H,22,26)/t14-/m0/s1
InChIKeyFFQAKWGURBCDKD-AWEZNQCLSA-N
XLogP1.09
TPSA112.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.34
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(azetidin-3-ylmethoxy)-N-[2-(1-methyl-2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]benzamide
CID 167441368
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 177187864
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-7-hydroxy-1H-indole-2-carboxamide
CID 177187886
4-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-5-propan-2-yl-1H-imidazole-2-carboxamide
CID 177187832
N-[2-(2,7-dioxocyclononyl)-1-oxo-3H-isoindol-5-yl]-2-methylbenzamide
CID 170731830
N-[1-oxo-2-(7-oxo-2-sulfanylidenecyclononyl)-3H-isoindol-5-yl]acetamide
CID 170731888
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2,2-dimethylpropanamide
CID 176614145
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-6-methoxynaphthalene-2-carboxamide
CID 166819388
4-chloro-N-(2-cyclohexyl-1-oxo-3H-isoindol-5-yl)benzamide
CID 58707854
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-5-methyl-1-phenylimidazole-4-carboxamide
CID 170628932
4-chloro-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-7-methyl-1H-indole-2-carboxamide
CID 177188028
N-naphthalen-2-ylpyrimidine-4-carboxamide
CID 140508314

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3S)-1-fluoro-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]pyrimidine-4-carboxamide?
The IUPAC name of N-[2-[(3S)-1-fluoro-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]pyrimidine-4-carboxamide (CID 174375109) is N-[2-[(3S)-1-fluoro-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for N-[2-[(3S)-1-fluoro-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]pyrimidine-4-carboxamide?
The canonical SMILES for N-[2-[(3S)-1-fluoro-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]pyrimidine-4-carboxamide is O=C(Nc1ccc2c(c1)CN([C@H]1CCC(=O)N(F)C1=O)C2=O)c1ccncn1.
What is the InChIKey of N-[2-[(3S)-1-fluoro-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]pyrimidine-4-carboxamide?
The InChIKey is FFQAKWGURBCDKD-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H14FN5O4/c19-24-15(25)4-3-14(18(24)28)23-8-10-7-11(1-2-12(10)17(23)27)22-16(26)13-5-6-20-9-21-13/h1-2,5-7,9,14H,3-4,8H2,(H,22,26)/t14-/m0/s1.
What are the key properties of N-[2-[(3S)-1-fluoro-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]pyrimidine-4-carboxamide?
N-[2-[(3S)-1-fluoro-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]pyrimidine-4-carboxamide has a molecular weight of 383.34 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3S)-1-fluoro-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 174375109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).