3-chloro-N-(5-pyrrolidin-1-yl-2-pyridinyl)-1-benzothiophene-2-carboxamide

C18H16ClN3OS — CID 32948486

IUPAC3-chloro-N-(5-pyrrolidin-1-yl-2-pyridinyl)-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2)cn1)c1sc2ccccc2c1Cl
InChIInChI=1S/C18H16ClN3OS/c19-16-13-5-1-2-6-14(13)24-17(16)18(23)21-15-8-7-12(11-20-15)22-9-3-4-10-22/h1-2,5-8,11H,3-4,9-10H2,(H,20,21,23)
InChIKeyCZTIDDUJPXXAIO-UHFFFAOYSA-N
MW357.87 g/mol
LogP4.80
Rot. Bonds3

About 3-chloro-N-(5-pyrrolidin-1-yl-2-pyridinyl)-1-benzothiophene-2-carboxamide

3-chloro-N-(5-pyrrolidin-1-yl-2-pyridinyl)-1-benzothiophene-2-carboxamide (PubChem CID 32948486) has the molecular formula C18H16ClN3OS and a molecular weight of 357.87 g/mol. Its IUPAC name is 3-chloro-N-(5-pyrrolidin-1-yl-2-pyridinyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(5-pyrrolidin-1-yl-2-pyridinyl)-1-benzothiophene-2-carboxamide
PubChem CID32948486
Molecular FormulaC18H16ClN3OS
Molecular Weight357.87 g/mol
Exact Mass357.07
IUPAC Name3-chloro-N-(5-pyrrolidin-1-yl-2-pyridinyl)-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2)cn1)c1sc2ccccc2c1Cl
InChIInChI=1S/C18H16ClN3OS/c19-16-13-5-1-2-6-14(13)24-17(16)18(23)21-15-8-7-12(11-20-15)22-9-3-4-10-22/h1-2,5-8,11H,3-4,9-10H2,(H,20,21,23)
InChIKeyCZTIDDUJPXXAIO-UHFFFAOYSA-N
XLogP4.80
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.87
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-(5-morpholin-4-yl-2-pyridinyl)-1-benzothiophene-2-carboxamide
CID 134053278
2-chloro-N-(5-piperidin-1-yl-2-pyridinyl)benzamide
CID 113024603
2-N,5-N-bis(5-piperidin-1-yl-2-pyridinyl)thiophene-2,5-dicarboxamide
CID 112827563
3-chloro-N-(3-chloro-2-piperidin-1-ylphenyl)-1-benzothiophene-2-carboxamide
CID 4643285
3-chloro-N-[5-(4,5-dihydro-1H-imidazol-2-yl)-2-pyridinyl]-1-benzothiophene-2-carboxamide;hydrochloride
CID 42625704
N-[4-(4-benzoylpiperazin-1-yl)phenyl]-3-chloro-1-benzothiophene-2-carboxamide
CID 17117860
3-chloro-N-[4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]-1-benzothiophene-2-carboxamide
CID 17273895
3-chloro-N-[2-oxo-2-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]ethyl]-1-benzothiophene-2-carboxamide
CID 46426974
2-chloro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide;hydrochloride
CID 119494622
4-methoxy-N-(5-piperidin-1-yl-2-pyridinyl)naphthalene-1-carboxamide
CID 112827556
3-chloro-N-(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)-1-benzothiophene-2-carboxamide
CID 35397504
N-(5-pyrrolidin-1-yl-2-pyridinyl)thiophene-3-carboxamide
CID 32949158

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(5-pyrrolidin-1-yl-2-pyridinyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-(5-pyrrolidin-1-yl-2-pyridinyl)-1-benzothiophene-2-carboxamide (CID 32948486) is 3-chloro-N-(5-pyrrolidin-1-yl-2-pyridinyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(5-pyrrolidin-1-yl-2-pyridinyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-(5-pyrrolidin-1-yl-2-pyridinyl)-1-benzothiophene-2-carboxamide is O=C(Nc1ccc(N2CCCC2)cn1)c1sc2ccccc2c1Cl.
What is the InChIKey of 3-chloro-N-(5-pyrrolidin-1-yl-2-pyridinyl)-1-benzothiophene-2-carboxamide?
The InChIKey is CZTIDDUJPXXAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3OS/c19-16-13-5-1-2-6-14(13)24-17(16)18(23)21-15-8-7-12(11-20-15)22-9-3-4-10-22/h1-2,5-8,11H,3-4,9-10H2,(H,20,21,23).
What are the key properties of 3-chloro-N-(5-pyrrolidin-1-yl-2-pyridinyl)-1-benzothiophene-2-carboxamide?
3-chloro-N-(5-pyrrolidin-1-yl-2-pyridinyl)-1-benzothiophene-2-carboxamide has a molecular weight of 357.87 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(5-pyrrolidin-1-yl-2-pyridinyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 32948486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).