N-[6-(cyclohexanecarbonylamino)-3-pyridinyl]thiophene-2-carboxamide

C17H19N3O2S — CID 1452669

IUPACN-[6-(cyclohexanecarbonylamino)-3-pyridinyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(NC(=O)C2CCCCC2)nc1)c1cccs1
InChIInChI=1S/C17H19N3O2S/c21-16(12-5-2-1-3-6-12)20-15-9-8-13(11-18-15)19-17(22)14-7-4-10-23-14/h4,7-12H,1-3,5-6H2,(H,19,22)(H,18,20,21)
InChIKeyOSZOLWKABGSOIZ-UHFFFAOYSA-N
MW329.43 g/mol
LogP3.91
Rot. Bonds4

About N-[6-(cyclohexanecarbonylamino)-3-pyridinyl]thiophene-2-carboxamide

N-[6-(cyclohexanecarbonylamino)-3-pyridinyl]thiophene-2-carboxamide (PubChem CID 1452669) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is N-[6-(cyclohexanecarbonylamino)-3-pyridinyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[6-(cyclohexanecarbonylamino)-3-pyridinyl]thiophene-2-carboxamide
PubChem CID1452669
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC NameN-[6-(cyclohexanecarbonylamino)-3-pyridinyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(NC(=O)C2CCCCC2)nc1)c1cccs1
InChIInChI=1S/C17H19N3O2S/c21-16(12-5-2-1-3-6-12)20-15-9-8-13(11-18-15)19-17(22)14-7-4-10-23-14/h4,7-12H,1-3,5-6H2,(H,19,22)(H,18,20,21)
InChIKeyOSZOLWKABGSOIZ-UHFFFAOYSA-N
XLogP3.91
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-(cyclohexanecarbonylamino)-3-pyridinyl]thiophene-2-carboxamide?
The IUPAC name of N-[6-(cyclohexanecarbonylamino)-3-pyridinyl]thiophene-2-carboxamide (CID 1452669) is N-[6-(cyclohexanecarbonylamino)-3-pyridinyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[6-(cyclohexanecarbonylamino)-3-pyridinyl]thiophene-2-carboxamide?
The canonical SMILES for N-[6-(cyclohexanecarbonylamino)-3-pyridinyl]thiophene-2-carboxamide is O=C(Nc1ccc(NC(=O)C2CCCCC2)nc1)c1cccs1.
What is the InChIKey of N-[6-(cyclohexanecarbonylamino)-3-pyridinyl]thiophene-2-carboxamide?
The InChIKey is OSZOLWKABGSOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c21-16(12-5-2-1-3-6-12)20-15-9-8-13(11-18-15)19-17(22)14-7-4-10-23-14/h4,7-12H,1-3,5-6H2,(H,19,22)(H,18,20,21).
What are the key properties of N-[6-(cyclohexanecarbonylamino)-3-pyridinyl]thiophene-2-carboxamide?
N-[6-(cyclohexanecarbonylamino)-3-pyridinyl]thiophene-2-carboxamide has a molecular weight of 329.43 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(cyclohexanecarbonylamino)-3-pyridinyl]thiophene-2-carboxamide is sourced from PubChem (CID 1452669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).