2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-6-(ethylamino)-N-methylpyridine-4-carboxamide

C14H15Cl2N3OS — CID 62179610

IUPAC2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-6-(ethylamino)-N-methylpyridine-4-carboxamide
SMILESCCNc1cc(C(=O)N(C)Cc2ccc(Cl)s2)cc(Cl)n1
InChIInChI=1S/C14H15Cl2N3OS/c1-3-17-13-7-9(6-11(15)18-13)14(20)19(2)8-10-4-5-12(16)21-10/h4-7H,3,8H2,1-2H3,(H,17,18)
InChIKeyONRJUMCWEAMKRQ-UHFFFAOYSA-N
MW344.27 g/mol
LogP4.15
Rot. Bonds5

About 2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-6-(ethylamino)-N-methylpyridine-4-carboxamide

2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-6-(ethylamino)-N-methylpyridine-4-carboxamide (PubChem CID 62179610) has the molecular formula C14H15Cl2N3OS and a molecular weight of 344.27 g/mol. Its IUPAC name is 2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-6-(ethylamino)-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-6-(ethylamino)-N-methylpyridine-4-carboxamide
PubChem CID62179610
Molecular FormulaC14H15Cl2N3OS
Molecular Weight344.27 g/mol
Exact Mass343.03
IUPAC Name2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-6-(ethylamino)-N-methylpyridine-4-carboxamide
SMILESCCNc1cc(C(=O)N(C)Cc2ccc(Cl)s2)cc(Cl)n1
InChIInChI=1S/C14H15Cl2N3OS/c1-3-17-13-7-9(6-11(15)18-13)14(20)19(2)8-10-4-5-12(16)21-10/h4-7H,3,8H2,1-2H3,(H,17,18)
InChIKeyONRJUMCWEAMKRQ-UHFFFAOYSA-N
XLogP4.15
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.27
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-6-(ethylamino)-N-methylpyridazine-3-carboxamide
CID 62179430
2-chloro-6-(ethylamino)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide
CID 64517367
N-[(5-chlorothiophen-2-yl)methyl]-N-methylbenzamide
CID 60646136
1-[(5-chlorothiophen-2-yl)methyl]-3-ethyl-1-methylurea
CID 47107929
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-4-(propylamino)benzamide
CID 62179777
5-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpyridine-3-carboxamide
CID 9107741
N-[(5-chlorothiophen-2-yl)methyl]-5-(ethylamino)-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 80615833
2-chloro-N-(cyclobutylmethyl)-6-(ethylamino)-N-methylpyridine-4-carboxamide
CID 62855903
2-chloro-N-ethyl-6-(ethylamino)pyridine-4-carboxamide
CID 62172199
2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-6-(ethylamino)pyridine-4-carboxamide
CID 62180370
4-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-sulfamoylbenzamide
CID 9107639
N-[(5-chlorothiophen-2-yl)methyl]-4-(ethylsulfamoyl)-N-methylbenzamide
CID 9107610

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-6-(ethylamino)-N-methylpyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-6-(ethylamino)-N-methylpyridine-4-carboxamide (CID 62179610) is 2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-6-(ethylamino)-N-methylpyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-6-(ethylamino)-N-methylpyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-6-(ethylamino)-N-methylpyridine-4-carboxamide is CCNc1cc(C(=O)N(C)Cc2ccc(Cl)s2)cc(Cl)n1.
What is the InChIKey of 2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-6-(ethylamino)-N-methylpyridine-4-carboxamide?
The InChIKey is ONRJUMCWEAMKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3OS/c1-3-17-13-7-9(6-11(15)18-13)14(20)19(2)8-10-4-5-12(16)21-10/h4-7H,3,8H2,1-2H3,(H,17,18).
What are the key properties of 2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-6-(ethylamino)-N-methylpyridine-4-carboxamide?
2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-6-(ethylamino)-N-methylpyridine-4-carboxamide has a molecular weight of 344.27 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-6-(ethylamino)-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 62179610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).