4-oxo-N-pyridin-3-yl-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide

C12H9N5O2 — CID 167853656

IUPAC4-oxo-N-pyridin-3-yl-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide
SMILESO=C(Nc1cccnc1)c1c[nH]c2nc[nH]c(=O)c12
InChIInChI=1S/C12H9N5O2/c18-11(17-7-2-1-3-13-4-7)8-5-14-10-9(8)12(19)16-6-15-10/h1-6H,(H,17,18)(H2,14,15,16,19)
InChIKeyPCPSDILVEMIPTN-UHFFFAOYSA-N
MW255.24 g/mol
LogP0.90
Rot. Bonds2

About 4-oxo-N-pyridin-3-yl-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide

4-oxo-N-pyridin-3-yl-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 167853656) has the molecular formula C12H9N5O2 and a molecular weight of 255.24 g/mol. Its IUPAC name is 4-oxo-N-pyridin-3-yl-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-oxo-N-pyridin-3-yl-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide
PubChem CID167853656
Molecular FormulaC12H9N5O2
Molecular Weight255.24 g/mol
Exact Mass255.08
IUPAC Name4-oxo-N-pyridin-3-yl-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide
SMILESO=C(Nc1cccnc1)c1c[nH]c2nc[nH]c(=O)c12
InChIInChI=1S/C12H9N5O2/c18-11(17-7-2-1-3-13-4-7)8-5-14-10-9(8)12(19)16-6-15-10/h1-6H,(H,17,18)(H2,14,15,16,19)
InChIKeyPCPSDILVEMIPTN-UHFFFAOYSA-N
XLogP0.90
TPSA103.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-oxo-N-[3-(2-oxoazetidin-1-yl)phenyl]-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 167855111
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-pyridin-3-yl-1H-indole-3-carboxamide
CID 43399328
N-[3-[(2-amino-2-oxoethyl)-methylcarbamoyl]phenyl]-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 166366418
N-[6-(4-methylsulfonylpiperazin-1-yl)-3-pyridinyl]-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 167928325
4-oxo-N-pyridin-3-yl-5,6,7,8-tetrahydro-1H-cyclohepta[b]pyrrole-3-carboxamide
CID 18696540
4-hydroxy-N-pyridin-3-ylbenzamide
CID 15965764
2-benzamido-N-pyridin-3-ylbenzamide
CID 730923
2-chloro-N-[2-(pyridin-3-ylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 30336522
2-N,9-N-dipyridin-3-yl-1,10-phenanthroline-2,9-dicarboxamide
CID 155927483
1-oxo-N-pyridin-3-yl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-8-carboxamide
CID 134463470

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-pyridin-3-yl-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 4-oxo-N-pyridin-3-yl-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide (CID 167853656) is 4-oxo-N-pyridin-3-yl-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-oxo-N-pyridin-3-yl-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 4-oxo-N-pyridin-3-yl-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide is O=C(Nc1cccnc1)c1c[nH]c2nc[nH]c(=O)c12.
What is the InChIKey of 4-oxo-N-pyridin-3-yl-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is PCPSDILVEMIPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5O2/c18-11(17-7-2-1-3-13-4-7)8-5-14-10-9(8)12(19)16-6-15-10/h1-6H,(H,17,18)(H2,14,15,16,19).
What are the key properties of 4-oxo-N-pyridin-3-yl-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide?
4-oxo-N-pyridin-3-yl-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 255.24 g/mol, XLogP of 0.90, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-pyridin-3-yl-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 167853656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).