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

C13H11N5O — CID 158290599

IUPACN-(pyridin-3-ylmethyl)pyrrolo[2,3-d]pyrimidine-7-carboxamide
SMILESO=C(NCc1cccnc1)n1ccc2cncnc21
InChIInChI=1S/C13H11N5O/c19-13(16-7-10-2-1-4-14-6-10)18-5-3-11-8-15-9-17-12(11)18/h1-6,8-9H,7H2,(H,16,19)
InChIKeyGLHNNTGJPBHADQ-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.58
Rot. Bonds2

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

N-(pyridin-3-ylmethyl)pyrrolo[2,3-d]pyrimidine-7-carboxamide (PubChem CID 158290599) has the molecular formula C13H11N5O and a molecular weight of 253.27 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)pyrrolo[2,3-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)pyrrolo[2,3-d]pyrimidine-7-carboxamide
PubChem CID158290599
Molecular FormulaC13H11N5O
Molecular Weight253.27 g/mol
Exact Mass253.10
IUPAC NameN-(pyridin-3-ylmethyl)pyrrolo[2,3-d]pyrimidine-7-carboxamide
SMILESO=C(NCc1cccnc1)n1ccc2cncnc21
InChIInChI=1S/C13H11N5O/c19-13(16-7-10-2-1-4-14-6-10)18-5-3-11-8-15-9-17-12(11)18/h1-6,8-9H,7H2,(H,16,19)
InChIKeyGLHNNTGJPBHADQ-UHFFFAOYSA-N
XLogP1.58
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(pyridin-3-ylmethyl)pyrrolo[2,3-d]pyrimidine-7-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-methyl-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide
CID 110852055
N-(pyridin-3-ylmethyl)carbamate
CID 19082872
N-(pyridin-3-ylmethyl)phenothiazine-10-carboxamide
CID 704264
1-N,1-N'-bis(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108976772
2,3,5,6-tetrafluoro-1-N,4-N-bis(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 1204787
N-(pyridin-3-ylmethyl)-2-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
CID 1279662
N-(pyridin-3-ylmethyl)hexa-2,4-dienamide
CID 71321108
(2E,4E)-N-(pyridin-3-ylmethyl)hexa-2,4-dienamide
CID 13405147
4-[4-(4-methylpiperazin-1-yl)phenyl]-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108617
N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 110755498
(4R)-3-(pyridin-3-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61200404
2-[1-(pyridin-3-ylmethylcarbamoyl)azetidin-3-yl]acetic acid
CID 64619006

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)pyrrolo[2,3-d]pyrimidine-7-carboxamide?
The IUPAC name of N-(pyridin-3-ylmethyl)pyrrolo[2,3-d]pyrimidine-7-carboxamide (CID 158290599) is N-(pyridin-3-ylmethyl)pyrrolo[2,3-d]pyrimidine-7-carboxamide.
What is the SMILES notation for N-(pyridin-3-ylmethyl)pyrrolo[2,3-d]pyrimidine-7-carboxamide?
The canonical SMILES for N-(pyridin-3-ylmethyl)pyrrolo[2,3-d]pyrimidine-7-carboxamide is O=C(NCc1cccnc1)n1ccc2cncnc21.
What is the InChIKey of N-(pyridin-3-ylmethyl)pyrrolo[2,3-d]pyrimidine-7-carboxamide?
The InChIKey is GLHNNTGJPBHADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O/c19-13(16-7-10-2-1-4-14-6-10)18-5-3-11-8-15-9-17-12(11)18/h1-6,8-9H,7H2,(H,16,19).
What are the key properties of N-(pyridin-3-ylmethyl)pyrrolo[2,3-d]pyrimidine-7-carboxamide?
N-(pyridin-3-ylmethyl)pyrrolo[2,3-d]pyrimidine-7-carboxamide has a molecular weight of 253.27 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)pyrrolo[2,3-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 158290599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).