6-(cyclopropylamino)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)pyridine-3-carboxamide

C20H16N6OS — CID 167992083

IUPAC6-(cyclopropylamino)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)pyridine-3-carboxamide
SMILESO=C(Nc1nc(-c2ccccn2)nc2sccc12)c1ccc(NC2CC2)nc1
InChIInChI=1S/C20H16N6OS/c27-19(12-4-7-16(22-11-12)23-13-5-6-13)25-17-14-8-10-28-20(14)26-18(24-17)15-3-1-2-9-21-15/h1-4,7-11,13H,5-6H2,(H,22,23)(H,24,25,26,27)
InChIKeyNRNRBJRVDBMQAB-UHFFFAOYSA-N
MW388.46 g/mol
LogP3.97
Rot. Bonds5

About 6-(cyclopropylamino)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)pyridine-3-carboxamide

6-(cyclopropylamino)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)pyridine-3-carboxamide (PubChem CID 167992083) has the molecular formula C20H16N6OS and a molecular weight of 388.46 g/mol. Its IUPAC name is 6-(cyclopropylamino)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(cyclopropylamino)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)pyridine-3-carboxamide
PubChem CID167992083
Molecular FormulaC20H16N6OS
Molecular Weight388.46 g/mol
Exact Mass388.11
IUPAC Name6-(cyclopropylamino)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)pyridine-3-carboxamide
SMILESO=C(Nc1nc(-c2ccccn2)nc2sccc12)c1ccc(NC2CC2)nc1
InChIInChI=1S/C20H16N6OS/c27-19(12-4-7-16(22-11-12)23-13-5-6-13)25-17-14-8-10-28-20(14)26-18(24-17)15-3-1-2-9-21-15/h1-4,7-11,13H,5-6H2,(H,22,23)(H,24,25,26,27)
InChIKeyNRNRBJRVDBMQAB-UHFFFAOYSA-N
XLogP3.97
TPSA92.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylamino)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)pyridine-3-carboxamide?
The IUPAC name of 6-(cyclopropylamino)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)pyridine-3-carboxamide (CID 167992083) is 6-(cyclopropylamino)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(cyclopropylamino)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-(cyclopropylamino)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)pyridine-3-carboxamide is O=C(Nc1nc(-c2ccccn2)nc2sccc12)c1ccc(NC2CC2)nc1.
What is the InChIKey of 6-(cyclopropylamino)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)pyridine-3-carboxamide?
The InChIKey is NRNRBJRVDBMQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6OS/c27-19(12-4-7-16(22-11-12)23-13-5-6-13)25-17-14-8-10-28-20(14)26-18(24-17)15-3-1-2-9-21-15/h1-4,7-11,13H,5-6H2,(H,22,23)(H,24,25,26,27).
What are the key properties of 6-(cyclopropylamino)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)pyridine-3-carboxamide?
6-(cyclopropylamino)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)pyridine-3-carboxamide has a molecular weight of 388.46 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylamino)-N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 167992083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).