2-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-propan-2-ylpyridine-4-carboxamide

C15H16Cl2N2OS — CID 106033510

IUPAC2-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-propan-2-ylpyridine-4-carboxamide
SMILESCC(C)c1cc(C(=O)NCCc2ccc(Cl)s2)cc(Cl)n1
InChIInChI=1S/C15H16Cl2N2OS/c1-9(2)12-7-10(8-13(16)19-12)15(20)18-6-5-11-3-4-14(17)21-11/h3-4,7-9H,5-6H2,1-2H3,(H,18,20)
InChIKeyGKDDTUQEFLOSAC-UHFFFAOYSA-N
MW343.28 g/mol
LogP4.55
Rot. Bonds5

About 2-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-propan-2-ylpyridine-4-carboxamide

2-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-propan-2-ylpyridine-4-carboxamide (PubChem CID 106033510) has the molecular formula C15H16Cl2N2OS and a molecular weight of 343.28 g/mol. Its IUPAC name is 2-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-propan-2-ylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-propan-2-ylpyridine-4-carboxamide
PubChem CID106033510
Molecular FormulaC15H16Cl2N2OS
Molecular Weight343.28 g/mol
Exact Mass342.04
IUPAC Name2-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-propan-2-ylpyridine-4-carboxamide
SMILESCC(C)c1cc(C(=O)NCCc2ccc(Cl)s2)cc(Cl)n1
InChIInChI=1S/C15H16Cl2N2OS/c1-9(2)12-7-10(8-13(16)19-12)15(20)18-6-5-11-3-4-14(17)21-11/h3-4,7-9H,5-6H2,1-2H3,(H,18,20)
InChIKeyGKDDTUQEFLOSAC-UHFFFAOYSA-N
XLogP4.55
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.28
LogP ≤ 54.55
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

2-chloro-N-(3-methylbutyl)-6-propan-2-ylpyridine-4-carboxamide
CID 113379713
2-chloro-N-hexyl-6-propan-2-ylpyridine-4-carboxamide
CID 113379798
methyl 3-[(2-chloro-6-propan-2-ylpyridine-4-carbonyl)amino]propanoate
CID 113379816
2-chloro-N-[3-[methyl(propan-2-yl)amino]propyl]-6-propan-2-ylpyridine-4-carboxamide
CID 106033397
2-chloro-N-(2,2-dimethylbutyl)-6-propan-2-ylpyridine-4-carboxamide
CID 103461104
(2S)-2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]propanamide
CID 103630177
2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]pyridine-4-carboxamide
CID 106050315
N-[2-(5-chlorothiophen-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 110787979
2-chloro-N-(2-cyanopropyl)-6-propan-2-ylpyridine-4-carboxamide
CID 113379908
3-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-4-iodobenzamide
CID 106037004
2-chloro-N-(2-ethoxypropyl)-6-propan-2-ylpyridine-4-carboxamide
CID 113477235
N-[2-(5-chlorothiophen-2-yl)ethyl]-6-fluoropyridine-3-carboxamide
CID 113236231

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-propan-2-ylpyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-propan-2-ylpyridine-4-carboxamide (CID 106033510) is 2-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-propan-2-ylpyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-propan-2-ylpyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-propan-2-ylpyridine-4-carboxamide is CC(C)c1cc(C(=O)NCCc2ccc(Cl)s2)cc(Cl)n1.
What is the InChIKey of 2-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-propan-2-ylpyridine-4-carboxamide?
The InChIKey is GKDDTUQEFLOSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2OS/c1-9(2)12-7-10(8-13(16)19-12)15(20)18-6-5-11-3-4-14(17)21-11/h3-4,7-9H,5-6H2,1-2H3,(H,18,20).
What are the key properties of 2-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-propan-2-ylpyridine-4-carboxamide?
2-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-propan-2-ylpyridine-4-carboxamide has a molecular weight of 343.28 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-propan-2-ylpyridine-4-carboxamide is sourced from PubChem (CID 106033510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).