N-(3-iodophenyl)pyrrolo[2,3-d]pyrimidine-7-carboxamide

C13H9IN4O — CID 141196455

IUPACN-(3-iodophenyl)pyrrolo[2,3-d]pyrimidine-7-carboxamide
SMILESO=C(Nc1cccc(I)c1)n1ccc2cncnc21
InChIInChI=1S/C13H9IN4O/c14-10-2-1-3-11(6-10)17-13(19)18-5-4-9-7-15-8-16-12(9)18/h1-8H,(H,17,19)
InChIKeyYXSUCRMVTNPHIN-UHFFFAOYSA-N
MW364.15 g/mol
LogP3.12
Rot. Bonds1

About N-(3-iodophenyl)pyrrolo[2,3-d]pyrimidine-7-carboxamide

N-(3-iodophenyl)pyrrolo[2,3-d]pyrimidine-7-carboxamide (PubChem CID 141196455) has the molecular formula C13H9IN4O and a molecular weight of 364.15 g/mol. Its IUPAC name is N-(3-iodophenyl)pyrrolo[2,3-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-(3-iodophenyl)pyrrolo[2,3-d]pyrimidine-7-carboxamide
PubChem CID141196455
Molecular FormulaC13H9IN4O
Molecular Weight364.15 g/mol
Exact Mass363.98
IUPAC NameN-(3-iodophenyl)pyrrolo[2,3-d]pyrimidine-7-carboxamide
SMILESO=C(Nc1cccc(I)c1)n1ccc2cncnc21
InChIInChI=1S/C13H9IN4O/c14-10-2-1-3-11(6-10)17-13(19)18-5-4-9-7-15-8-16-12(9)18/h1-8H,(H,17,19)
InChIKeyYXSUCRMVTNPHIN-UHFFFAOYSA-N
XLogP3.12
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.15
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-iodophenyl)-4-pyrazin-2-ylpiperazine-1-carboxamide
CID 3737109
6-chloro-N-(3-iodophenyl)pyrazine-2-carboxamide
CID 103336801
N-(3-iodophenyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 51179613
methyl 2-(3-iodoanilino)-2-oxoacetate
CID 112683075
3-iodo-N-pyrimidin-5-ylbenzamide
CID 104856856
5-hydrazinyl-N-(3-iodophenyl)pyridine-2-carboxamide
CID 104642534
N-(3-iodophenyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 2535856
6-chloro-N-(3-iodophenyl)pyridine-2-carboxamide
CID 55052347
N-(3-iodophenyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 60729037
2-chloro-N-(3-iodophenyl)acetamide
CID 2342100
3-(3-iodoanilino)-3-oxopropanoic acid
CID 62230564
N-(3-iodophenyl)-2-(1-oxoisoquinolin-2-yl)acetamide
CID 9354432

Frequently Asked Questions

What is the IUPAC name of N-(3-iodophenyl)pyrrolo[2,3-d]pyrimidine-7-carboxamide?
The IUPAC name of N-(3-iodophenyl)pyrrolo[2,3-d]pyrimidine-7-carboxamide (CID 141196455) is N-(3-iodophenyl)pyrrolo[2,3-d]pyrimidine-7-carboxamide.
What is the SMILES notation for N-(3-iodophenyl)pyrrolo[2,3-d]pyrimidine-7-carboxamide?
The canonical SMILES for N-(3-iodophenyl)pyrrolo[2,3-d]pyrimidine-7-carboxamide is O=C(Nc1cccc(I)c1)n1ccc2cncnc21.
What is the InChIKey of N-(3-iodophenyl)pyrrolo[2,3-d]pyrimidine-7-carboxamide?
The InChIKey is YXSUCRMVTNPHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9IN4O/c14-10-2-1-3-11(6-10)17-13(19)18-5-4-9-7-15-8-16-12(9)18/h1-8H,(H,17,19).
What are the key properties of N-(3-iodophenyl)pyrrolo[2,3-d]pyrimidine-7-carboxamide?
N-(3-iodophenyl)pyrrolo[2,3-d]pyrimidine-7-carboxamide has a molecular weight of 364.15 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodophenyl)pyrrolo[2,3-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 141196455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).