N-[(6-chloro-3-pyridinyl)methyl]-1-benzothiophene-6-carboxamide

C15H11ClN2OS — CID 90752129

IUPACN-[(6-chloro-3-pyridinyl)methyl]-1-benzothiophene-6-carboxamide
SMILESO=C(NCc1ccc(Cl)nc1)c1ccc2ccsc2c1
InChIInChI=1S/C15H11ClN2OS/c16-14-4-1-10(8-17-14)9-18-15(19)12-3-2-11-5-6-20-13(11)7-12/h1-8H,9H2,(H,18,19)
InChIKeyVBFOLOYLMMRDKM-UHFFFAOYSA-N
MW302.79 g/mol
LogP3.88
Rot. Bonds3

About N-[(6-chloro-3-pyridinyl)methyl]-1-benzothiophene-6-carboxamide

N-[(6-chloro-3-pyridinyl)methyl]-1-benzothiophene-6-carboxamide (PubChem CID 90752129) has the molecular formula C15H11ClN2OS and a molecular weight of 302.79 g/mol. Its IUPAC name is N-[(6-chloro-3-pyridinyl)methyl]-1-benzothiophene-6-carboxamide.

Molecular Properties

Compound NameN-[(6-chloro-3-pyridinyl)methyl]-1-benzothiophene-6-carboxamide
PubChem CID90752129
Molecular FormulaC15H11ClN2OS
Molecular Weight302.79 g/mol
Exact Mass302.03
IUPAC NameN-[(6-chloro-3-pyridinyl)methyl]-1-benzothiophene-6-carboxamide
SMILESO=C(NCc1ccc(Cl)nc1)c1ccc2ccsc2c1
InChIInChI=1S/C15H11ClN2OS/c16-14-4-1-10(8-17-14)9-18-15(19)12-3-2-11-5-6-20-13(11)7-12/h1-8H,9H2,(H,18,19)
InChIKeyVBFOLOYLMMRDKM-UHFFFAOYSA-N
XLogP3.88
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.79
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[(3-bromothiophen-2-yl)methyl]-6-chloropyridine-3-carboxamide
CID 78986104
N-[2-(1H-imidazol-5-yl)ethyl]-1-benzothiophene-6-carboxamide
CID 91382735
6-chloro-N-[[2-(hydroxymethyl)phenyl]methyl]pyridine-3-carboxamide
CID 110902455
6-chloro-N-[(3-fluorophenyl)methyl]pyridine-3-carboxamide
CID 24903422
6-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 47230453
N-[(6-chloro-3-pyridinyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide;ethane
CID 143940637
3,4-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 51306023
6-chloro-N-[[4-(phenylmethoxymethyl)phenyl]methyl]pyridine-3-carboxamide
CID 46456887
6-chloro-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide
CID 50755766
6-chloro-N-[2-(3-chlorothiophen-2-yl)-2-oxoethyl]pyridine-3-carboxamide
CID 22147914
[4-[(6-chloro-3-pyridinyl)methylcarbamoyl]phenyl] 2,5-dimethylbenzenesulfonate
CID 60532432
(6-chloro-3-pyridinyl)methylcarbamodithioic acid
CID 11807317

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-3-pyridinyl)methyl]-1-benzothiophene-6-carboxamide?
The IUPAC name of N-[(6-chloro-3-pyridinyl)methyl]-1-benzothiophene-6-carboxamide (CID 90752129) is N-[(6-chloro-3-pyridinyl)methyl]-1-benzothiophene-6-carboxamide.
What is the SMILES notation for N-[(6-chloro-3-pyridinyl)methyl]-1-benzothiophene-6-carboxamide?
The canonical SMILES for N-[(6-chloro-3-pyridinyl)methyl]-1-benzothiophene-6-carboxamide is O=C(NCc1ccc(Cl)nc1)c1ccc2ccsc2c1.
What is the InChIKey of N-[(6-chloro-3-pyridinyl)methyl]-1-benzothiophene-6-carboxamide?
The InChIKey is VBFOLOYLMMRDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2OS/c16-14-4-1-10(8-17-14)9-18-15(19)12-3-2-11-5-6-20-13(11)7-12/h1-8H,9H2,(H,18,19).
What are the key properties of N-[(6-chloro-3-pyridinyl)methyl]-1-benzothiophene-6-carboxamide?
N-[(6-chloro-3-pyridinyl)methyl]-1-benzothiophene-6-carboxamide has a molecular weight of 302.79 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-3-pyridinyl)methyl]-1-benzothiophene-6-carboxamide is sourced from PubChem (CID 90752129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).