4-oxo-N-[3-(2-oxoazetidin-1-yl)phenyl]-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide

C16H13N5O3 — CID 167855111

IUPAC4-oxo-N-[3-(2-oxoazetidin-1-yl)phenyl]-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide
SMILESO=C(Nc1cccc(N2CCC2=O)c1)c1c[nH]c2nc[nH]c(=O)c12
InChIInChI=1S/C16H13N5O3/c22-12-4-5-21(12)10-3-1-2-9(6-10)20-15(23)11-7-17-14-13(11)16(24)19-8-18-14/h1-3,6-8H,4-5H2,(H,20,23)(H2,17,18,19,24)
InChIKeyVSSPMUUQJQISGQ-UHFFFAOYSA-N
MW323.31 g/mol
LogP1.24
Rot. Bonds3

About 4-oxo-N-[3-(2-oxoazetidin-1-yl)phenyl]-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide

4-oxo-N-[3-(2-oxoazetidin-1-yl)phenyl]-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 167855111) has the molecular formula C16H13N5O3 and a molecular weight of 323.31 g/mol. Its IUPAC name is 4-oxo-N-[3-(2-oxoazetidin-1-yl)phenyl]-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-oxo-N-[3-(2-oxoazetidin-1-yl)phenyl]-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide
PubChem CID167855111
Molecular FormulaC16H13N5O3
Molecular Weight323.31 g/mol
Exact Mass323.10
IUPAC Name4-oxo-N-[3-(2-oxoazetidin-1-yl)phenyl]-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide
SMILESO=C(Nc1cccc(N2CCC2=O)c1)c1c[nH]c2nc[nH]c(=O)c12
InChIInChI=1S/C16H13N5O3/c22-12-4-5-21(12)10-3-1-2-9(6-10)20-15(23)11-7-17-14-13(11)16(24)19-8-18-14/h1-3,6-8H,4-5H2,(H,20,23)(H2,17,18,19,24)
InChIKeyVSSPMUUQJQISGQ-UHFFFAOYSA-N
XLogP1.24
TPSA110.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-oxo-N-[3-(2-oxoazetidin-1-yl)phenyl]-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-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

4-oxo-N-pyridin-3-yl-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 167853656
N-[3-(1-methylpyrazol-4-yl)phenyl]-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 167899065
4-oxo-N-[3-(1,2,4-triazol-4-ylmethyl)phenyl]-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 166366447
N-[3-[(2-amino-2-oxoethyl)-methylcarbamoyl]phenyl]-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 166366418
N-[3-(2-oxopyrrolidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 62045003
4-bromo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-1H-pyrrole-2-carboxamide
CID 18098119
6-methyl-4-oxo-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 39585738
N-[6-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 167928325
5-amino-2-methyl-N-[3-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 120622526
2-chloro-4-fluoro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 17487375
1-(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyrazole-3-carboxamide
CID 43071783
5-amino-2-methyl-N-[3-(2-oxopiperidin-1-yl)phenyl]benzamide;hydrochloride
CID 120622525

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-[3-(2-oxoazetidin-1-yl)phenyl]-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 4-oxo-N-[3-(2-oxoazetidin-1-yl)phenyl]-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide (CID 167855111) is 4-oxo-N-[3-(2-oxoazetidin-1-yl)phenyl]-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-oxo-N-[3-(2-oxoazetidin-1-yl)phenyl]-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 4-oxo-N-[3-(2-oxoazetidin-1-yl)phenyl]-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide is O=C(Nc1cccc(N2CCC2=O)c1)c1c[nH]c2nc[nH]c(=O)c12.
What is the InChIKey of 4-oxo-N-[3-(2-oxoazetidin-1-yl)phenyl]-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is VSSPMUUQJQISGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O3/c22-12-4-5-21(12)10-3-1-2-9(6-10)20-15(23)11-7-17-14-13(11)16(24)19-8-18-14/h1-3,6-8H,4-5H2,(H,20,23)(H2,17,18,19,24).
What are the key properties of 4-oxo-N-[3-(2-oxoazetidin-1-yl)phenyl]-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide?
4-oxo-N-[3-(2-oxoazetidin-1-yl)phenyl]-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 323.31 g/mol, XLogP of 1.24, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-[3-(2-oxoazetidin-1-yl)phenyl]-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 167855111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).