N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-2,3-dihydro-1-benzothiophene-3-carboxamide

C21H26N4OS — CID 167884624

IUPACN-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-2,3-dihydro-1-benzothiophene-3-carboxamide
SMILESCN(C)C1CCN(c2ccc(NC(=O)C3CSc4ccccc43)nc2)CC1
InChIInChI=1S/C21H26N4OS/c1-24(2)15-9-11-25(12-10-15)16-7-8-20(22-13-16)23-21(26)18-14-27-19-6-4-3-5-17(18)19/h3-8,13,15,18H,9-12,14H2,1-2H3,(H,22,23,26)
InChIKeyANPRRZYLJYWSIV-UHFFFAOYSA-N
MW382.53 g/mol
LogP3.44
Rot. Bonds4

About N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-2,3-dihydro-1-benzothiophene-3-carboxamide

N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-2,3-dihydro-1-benzothiophene-3-carboxamide (PubChem CID 167884624) has the molecular formula C21H26N4OS and a molecular weight of 382.53 g/mol. Its IUPAC name is N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-2,3-dihydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-2,3-dihydro-1-benzothiophene-3-carboxamide
PubChem CID167884624
Molecular FormulaC21H26N4OS
Molecular Weight382.53 g/mol
Exact Mass382.18
IUPAC NameN-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-2,3-dihydro-1-benzothiophene-3-carboxamide
SMILESCN(C)C1CCN(c2ccc(NC(=O)C3CSc4ccccc43)nc2)CC1
InChIInChI=1S/C21H26N4OS/c1-24(2)15-9-11-25(12-10-15)16-7-8-20(22-13-16)23-21(26)18-14-27-19-6-4-3-5-17(18)19/h3-8,13,15,18H,9-12,14H2,1-2H3,(H,22,23,26)
InChIKeyANPRRZYLJYWSIV-UHFFFAOYSA-N
XLogP3.44
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-2,3-dihydro-1-benzothiophene-3-carboxamide?
The IUPAC name of N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-2,3-dihydro-1-benzothiophene-3-carboxamide (CID 167884624) is N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-2,3-dihydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-2,3-dihydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-2,3-dihydro-1-benzothiophene-3-carboxamide is CN(C)C1CCN(c2ccc(NC(=O)C3CSc4ccccc43)nc2)CC1.
What is the InChIKey of N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-2,3-dihydro-1-benzothiophene-3-carboxamide?
The InChIKey is ANPRRZYLJYWSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4OS/c1-24(2)15-9-11-25(12-10-15)16-7-8-20(22-13-16)23-21(26)18-14-27-19-6-4-3-5-17(18)19/h3-8,13,15,18H,9-12,14H2,1-2H3,(H,22,23,26).
What are the key properties of N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-2,3-dihydro-1-benzothiophene-3-carboxamide?
N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-2,3-dihydro-1-benzothiophene-3-carboxamide has a molecular weight of 382.53 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-2,3-dihydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 167884624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).