N-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6-thiophen-2-ylpyridine-2-carboxamide

C17H13N5OS — CID 167769050

IUPACN-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6-thiophen-2-ylpyridine-2-carboxamide
SMILESCc1nc(NC(=O)c2cccc(-c3cccs3)n2)c2cc[nH]c2n1
InChIInChI=1S/C17H13N5OS/c1-10-19-15-11(7-8-18-15)16(20-10)22-17(23)13-5-2-4-12(21-13)14-6-3-9-24-14/h2-9H,1H3,(H2,18,19,20,22,23)
InChIKeyHGUGSZZPQOVAJC-UHFFFAOYSA-N
MW335.39 g/mol
LogP3.64
Rot. Bonds3

About N-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6-thiophen-2-ylpyridine-2-carboxamide

N-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6-thiophen-2-ylpyridine-2-carboxamide (PubChem CID 167769050) has the molecular formula C17H13N5OS and a molecular weight of 335.39 g/mol. Its IUPAC name is N-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6-thiophen-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6-thiophen-2-ylpyridine-2-carboxamide
PubChem CID167769050
Molecular FormulaC17H13N5OS
Molecular Weight335.39 g/mol
Exact Mass335.08
IUPAC NameN-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6-thiophen-2-ylpyridine-2-carboxamide
SMILESCc1nc(NC(=O)c2cccc(-c3cccs3)n2)c2cc[nH]c2n1
InChIInChI=1S/C17H13N5OS/c1-10-19-15-11(7-8-18-15)16(20-10)22-17(23)13-5-2-4-12(21-13)14-6-3-9-24-14/h2-9H,1H3,(H2,18,19,20,22,23)
InChIKeyHGUGSZZPQOVAJC-UHFFFAOYSA-N
XLogP3.64
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6-thiophen-2-ylpyridine-2-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

N-(4-piperazin-1-yl-3-pyridinyl)-6-thiophen-2-ylpyridine-2-carboxamide
CID 25176508
N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-6-thiophen-2-ylpyridine-2-carboxamide
CID 154851106
4-methyl-N-(4-thiophen-2-ylpyrimidin-2-yl)benzamide
CID 3698321
(2-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-thiophen-2-ylmethanone
CID 25231022
N-(2,6-dimethylphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271121
1-(4-fluorophenyl)-3-(2-methyl-6-thiophen-2-yl-3-pyridinyl)urea
CID 155815627
2,6-bis[5-[6-[5-(6-thiophen-2-yl-2-pyridinyl)thiophen-2-yl]-2-pyridinyl]thiophen-2-yl]pyridine
CID 102326398
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 121084039
4-[(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
CID 122060059
2-N,6-N-bis(3-methyl-2-pyridinyl)pyridine-2,6-dicarboxamide
CID 4216500
2-chloro-6-fluoro-N-(4-methyl-5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide
CID 156585238
2,4-dimethyl-N-(4-methyl-5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide
CID 155917529

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6-thiophen-2-ylpyridine-2-carboxamide?
The IUPAC name of N-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6-thiophen-2-ylpyridine-2-carboxamide (CID 167769050) is N-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6-thiophen-2-ylpyridine-2-carboxamide.
What is the SMILES notation for N-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6-thiophen-2-ylpyridine-2-carboxamide?
The canonical SMILES for N-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6-thiophen-2-ylpyridine-2-carboxamide is Cc1nc(NC(=O)c2cccc(-c3cccs3)n2)c2cc[nH]c2n1.
What is the InChIKey of N-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6-thiophen-2-ylpyridine-2-carboxamide?
The InChIKey is HGUGSZZPQOVAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5OS/c1-10-19-15-11(7-8-18-15)16(20-10)22-17(23)13-5-2-4-12(21-13)14-6-3-9-24-14/h2-9H,1H3,(H2,18,19,20,22,23).
What are the key properties of N-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6-thiophen-2-ylpyridine-2-carboxamide?
N-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6-thiophen-2-ylpyridine-2-carboxamide has a molecular weight of 335.39 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6-thiophen-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 167769050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).