N-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]thiophene-3-carboxamide

C16H21N5OS — CID 53185771

IUPACN-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]thiophene-3-carboxamide
SMILESCN(C)c1cc(N2CCCC(NC(=O)c3ccsc3)C2)ncn1
InChIInChI=1S/C16H21N5OS/c1-20(2)14-8-15(18-11-17-14)21-6-3-4-13(9-21)19-16(22)12-5-7-23-10-12/h5,7-8,10-11,13H,3-4,6,9H2,1-2H3,(H,19,22)
InChIKeyJBWOPLHMJZSMAX-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.00
Rot. Bonds4

About N-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]thiophene-3-carboxamide

N-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]thiophene-3-carboxamide (PubChem CID 53185771) has the molecular formula C16H21N5OS and a molecular weight of 331.44 g/mol. Its IUPAC name is N-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]thiophene-3-carboxamide
PubChem CID53185771
Molecular FormulaC16H21N5OS
Molecular Weight331.44 g/mol
Exact Mass331.15
IUPAC NameN-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]thiophene-3-carboxamide
SMILESCN(C)c1cc(N2CCCC(NC(=O)c3ccsc3)C2)ncn1
InChIInChI=1S/C16H21N5OS/c1-20(2)14-8-15(18-11-17-14)21-6-3-4-13(9-21)19-16(22)12-5-7-23-10-12/h5,7-8,10-11,13H,3-4,6,9H2,1-2H3,(H,19,22)
InChIKeyJBWOPLHMJZSMAX-UHFFFAOYSA-N
XLogP2.00
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]thiophene-3-carboxamide?
The IUPAC name of N-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]thiophene-3-carboxamide (CID 53185771) is N-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]thiophene-3-carboxamide.
What is the SMILES notation for N-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]thiophene-3-carboxamide?
The canonical SMILES for N-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]thiophene-3-carboxamide is CN(C)c1cc(N2CCCC(NC(=O)c3ccsc3)C2)ncn1.
What is the InChIKey of N-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]thiophene-3-carboxamide?
The InChIKey is JBWOPLHMJZSMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5OS/c1-20(2)14-8-15(18-11-17-14)21-6-3-4-13(9-21)19-16(22)12-5-7-23-10-12/h5,7-8,10-11,13H,3-4,6,9H2,1-2H3,(H,19,22).
What are the key properties of N-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]thiophene-3-carboxamide?
N-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]thiophene-3-carboxamide has a molecular weight of 331.44 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]thiophene-3-carboxamide is sourced from PubChem (CID 53185771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).