2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-6-(ethylamino)pyridine-4-carboxamide

C14H15Cl2N3OS — CID 62180370

IUPAC2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-6-(ethylamino)pyridine-4-carboxamide
SMILESCCNc1cc(C(=O)NC(C)c2ccc(Cl)s2)cc(Cl)n1
InChIInChI=1S/C14H15Cl2N3OS/c1-3-17-13-7-9(6-11(15)19-13)14(20)18-8(2)10-4-5-12(16)21-10/h4-8H,3H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyQIMQNJZQRULMSO-UHFFFAOYSA-N
MW344.27 g/mol
LogP4.37
Rot. Bonds5

About 2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-6-(ethylamino)pyridine-4-carboxamide

2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-6-(ethylamino)pyridine-4-carboxamide (PubChem CID 62180370) has the molecular formula C14H15Cl2N3OS and a molecular weight of 344.27 g/mol. Its IUPAC name is 2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-6-(ethylamino)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-6-(ethylamino)pyridine-4-carboxamide
PubChem CID62180370
Molecular FormulaC14H15Cl2N3OS
Molecular Weight344.27 g/mol
Exact Mass343.03
IUPAC Name2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-6-(ethylamino)pyridine-4-carboxamide
SMILESCCNc1cc(C(=O)NC(C)c2ccc(Cl)s2)cc(Cl)n1
InChIInChI=1S/C14H15Cl2N3OS/c1-3-17-13-7-9(6-11(15)19-13)14(20)18-8(2)10-4-5-12(16)21-10/h4-8H,3H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyQIMQNJZQRULMSO-UHFFFAOYSA-N
XLogP4.37
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.27
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-(ethylamino)-N-(3-methylbutan-2-yl)pyridine-4-carboxamide
CID 62165976
2-chloro-N-ethyl-6-(ethylamino)pyridine-4-carboxamide
CID 62172199
2-chloro-6-(ethylamino)-N-(1-thiophen-2-ylpropyl)pyridine-4-carboxamide
CID 62179108
2-chloro-6-(ethylamino)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridine-4-carboxamide
CID 106389759
2-chloro-6-(ethylamino)-N-methylpyridine-4-carboxamide
CID 62171489
2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-6-(ethylamino)-N-methylpyridine-4-carboxamide
CID 62179610
2-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-6-(methylamino)pyridine-4-carboxamide
CID 115679300
2-amino-6-chloro-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-4-carboxamide
CID 62186333
methyl N-[1-(5-chlorothiophen-2-yl)ethyl]carbamate
CID 115579886
4-N-[1-(5-chlorothiophen-2-yl)ethyl]-6-N-ethyl-2-propylpyrimidine-4,6-diamine
CID 80941712
N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-6-ethoxypyridine-3-carboxamide
CID 94034384
2-chloro-6-(ethylamino)-N-pyridin-4-ylpyridine-4-carboxamide
CID 62167550

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-6-(ethylamino)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-6-(ethylamino)pyridine-4-carboxamide (CID 62180370) is 2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-6-(ethylamino)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-6-(ethylamino)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-6-(ethylamino)pyridine-4-carboxamide is CCNc1cc(C(=O)NC(C)c2ccc(Cl)s2)cc(Cl)n1.
What is the InChIKey of 2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-6-(ethylamino)pyridine-4-carboxamide?
The InChIKey is QIMQNJZQRULMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3OS/c1-3-17-13-7-9(6-11(15)19-13)14(20)18-8(2)10-4-5-12(16)21-10/h4-8H,3H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-6-(ethylamino)pyridine-4-carboxamide?
2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-6-(ethylamino)pyridine-4-carboxamide has a molecular weight of 344.27 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-6-(ethylamino)pyridine-4-carboxamide is sourced from PubChem (CID 62180370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).