5-methyl-N-(2-piperidin-1-ylpyrimidin-5-yl)thiophene-2-carboxamide

C15H18N4OS — CID 53164682

IUPAC5-methyl-N-(2-piperidin-1-ylpyrimidin-5-yl)thiophene-2-carboxamide
SMILESCc1ccc(C(=O)Nc2cnc(N3CCCCC3)nc2)s1
InChIInChI=1S/C15H18N4OS/c1-11-5-6-13(21-11)14(20)18-12-9-16-15(17-10-12)19-7-3-2-4-8-19/h5-6,9-10H,2-4,7-8H2,1H3,(H,18,20)
InChIKeyNAXOIOCRJRFICM-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.09
Rot. Bonds3

About 5-methyl-N-(2-piperidin-1-ylpyrimidin-5-yl)thiophene-2-carboxamide

5-methyl-N-(2-piperidin-1-ylpyrimidin-5-yl)thiophene-2-carboxamide (PubChem CID 53164682) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is 5-methyl-N-(2-piperidin-1-ylpyrimidin-5-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(2-piperidin-1-ylpyrimidin-5-yl)thiophene-2-carboxamide
PubChem CID53164682
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name5-methyl-N-(2-piperidin-1-ylpyrimidin-5-yl)thiophene-2-carboxamide
SMILESCc1ccc(C(=O)Nc2cnc(N3CCCCC3)nc2)s1
InChIInChI=1S/C15H18N4OS/c1-11-5-6-13(21-11)14(20)18-12-9-16-15(17-10-12)19-7-3-2-4-8-19/h5-6,9-10H,2-4,7-8H2,1H3,(H,18,20)
InChIKeyNAXOIOCRJRFICM-UHFFFAOYSA-N
XLogP3.09
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-piperidin-1-ylpyrimidin-5-yl)thiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-(2-piperidin-1-ylpyrimidin-5-yl)thiophene-2-carboxamide (CID 53164682) is 5-methyl-N-(2-piperidin-1-ylpyrimidin-5-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-(2-piperidin-1-ylpyrimidin-5-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-(2-piperidin-1-ylpyrimidin-5-yl)thiophene-2-carboxamide is Cc1ccc(C(=O)Nc2cnc(N3CCCCC3)nc2)s1.
What is the InChIKey of 5-methyl-N-(2-piperidin-1-ylpyrimidin-5-yl)thiophene-2-carboxamide?
The InChIKey is NAXOIOCRJRFICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-11-5-6-13(21-11)14(20)18-12-9-16-15(17-10-12)19-7-3-2-4-8-19/h5-6,9-10H,2-4,7-8H2,1H3,(H,18,20).
What are the key properties of 5-methyl-N-(2-piperidin-1-ylpyrimidin-5-yl)thiophene-2-carboxamide?
5-methyl-N-(2-piperidin-1-ylpyrimidin-5-yl)thiophene-2-carboxamide has a molecular weight of 302.40 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-piperidin-1-ylpyrimidin-5-yl)thiophene-2-carboxamide is sourced from PubChem (CID 53164682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).