N-(2-carbamoylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide

C14H11N5O2 — CID 166336925

IUPACN-(2-carbamoylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
SMILESNC(=O)c1ccccc1NC(=O)c1ncnc2[nH]ccc12
InChIInChI=1S/C14H11N5O2/c15-12(20)8-3-1-2-4-10(8)19-14(21)11-9-5-6-16-13(9)18-7-17-11/h1-7H,(H2,15,20)(H,19,21)(H,16,17,18)
InChIKeyVWFSAMXPXBDGBW-UHFFFAOYSA-N
MW281.28 g/mol
LogP1.31
Rot. Bonds3

About N-(2-carbamoylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide

N-(2-carbamoylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide (PubChem CID 166336925) has the molecular formula C14H11N5O2 and a molecular weight of 281.28 g/mol. Its IUPAC name is N-(2-carbamoylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-carbamoylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
PubChem CID166336925
Molecular FormulaC14H11N5O2
Molecular Weight281.28 g/mol
Exact Mass281.09
IUPAC NameN-(2-carbamoylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
SMILESNC(=O)c1ccccc1NC(=O)c1ncnc2[nH]ccc12
InChIInChI=1S/C14H11N5O2/c15-12(20)8-3-1-2-4-10(8)19-14(21)11-9-5-6-16-13(9)18-7-17-11/h1-7H,(H2,15,20)(H,19,21)(H,16,17,18)
InChIKeyVWFSAMXPXBDGBW-UHFFFAOYSA-N
XLogP1.31
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;N-methyl-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
CID 143330703
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1H-pyrrolo[2,3-b]pyridine-4-carboxamide
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CID 71944310
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CID 63107722
4-amino-N-(2-carbamoylphenyl)-1H-pyrrole-2-carboxamide
CID 43643909
N-(2-carbamoylphenyl)-5-methylpyrazine-2-carboxamide
CID 27687729
4-bromo-N-(2-carbamoylphenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 4111029
N-(2-carbamoylphenyl)-2-fluoropyridine-4-carboxamide
CID 60565205
N-(2-carbamoylphenyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 16672225

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamoylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide?
The IUPAC name of N-(2-carbamoylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide (CID 166336925) is N-(2-carbamoylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-carbamoylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-carbamoylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide is NC(=O)c1ccccc1NC(=O)c1ncnc2[nH]ccc12.
What is the InChIKey of N-(2-carbamoylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide?
The InChIKey is VWFSAMXPXBDGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O2/c15-12(20)8-3-1-2-4-10(8)19-14(21)11-9-5-6-16-13(9)18-7-17-11/h1-7H,(H2,15,20)(H,19,21)(H,16,17,18).
What are the key properties of N-(2-carbamoylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide?
N-(2-carbamoylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide has a molecular weight of 281.28 g/mol, XLogP of 1.31, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamoylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide is sourced from PubChem (CID 166336925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).