2-chloro-6-(ethylamino)-N-(1-thiophen-2-ylpropyl)pyridine-4-carboxamide

C15H18ClN3OS — CID 62179108

IUPAC2-chloro-6-(ethylamino)-N-(1-thiophen-2-ylpropyl)pyridine-4-carboxamide
SMILESCCNc1cc(C(=O)NC(CC)c2cccs2)cc(Cl)n1
InChIInChI=1S/C15H18ClN3OS/c1-3-11(12-6-5-7-21-12)18-15(20)10-8-13(16)19-14(9-10)17-4-2/h5-9,11H,3-4H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyRGNBFNUSZAIYSN-UHFFFAOYSA-N
MW323.85 g/mol
LogP4.11
Rot. Bonds6

About 2-chloro-6-(ethylamino)-N-(1-thiophen-2-ylpropyl)pyridine-4-carboxamide

2-chloro-6-(ethylamino)-N-(1-thiophen-2-ylpropyl)pyridine-4-carboxamide (PubChem CID 62179108) has the molecular formula C15H18ClN3OS and a molecular weight of 323.85 g/mol. Its IUPAC name is 2-chloro-6-(ethylamino)-N-(1-thiophen-2-ylpropyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-6-(ethylamino)-N-(1-thiophen-2-ylpropyl)pyridine-4-carboxamide
PubChem CID62179108
Molecular FormulaC15H18ClN3OS
Molecular Weight323.85 g/mol
Exact Mass323.09
IUPAC Name2-chloro-6-(ethylamino)-N-(1-thiophen-2-ylpropyl)pyridine-4-carboxamide
SMILESCCNc1cc(C(=O)NC(CC)c2cccs2)cc(Cl)n1
InChIInChI=1S/C15H18ClN3OS/c1-3-11(12-6-5-7-21-12)18-15(20)10-8-13(16)19-14(9-10)17-4-2/h5-9,11H,3-4H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyRGNBFNUSZAIYSN-UHFFFAOYSA-N
XLogP4.11
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.85
LogP ≤ 54.11
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

6-chloro-N-(1-thiophen-2-ylpropyl)pyridine-3-carboxamide
CID 47316391
2-chloro-6-(ethylamino)-N-methylpyridine-4-carboxamide
CID 62171489
2-chloro-6-(ethylamino)-N-(3-methylbutan-2-yl)pyridine-4-carboxamide
CID 62165976
2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-6-(ethylamino)pyridine-4-carboxamide
CID 62180370
2-chloro-N-ethyl-6-(ethylamino)pyridine-4-carboxamide
CID 62172199
2,3-dihydroxy-N-(1-thiophen-2-ylpropyl)benzamide
CID 114344112
3-amino-N-(1-thiophen-2-ylpropyl)benzamide
CID 54964756
2-chloro-6-(ethylamino)-N-pyridin-4-ylpyridine-4-carboxamide
CID 62167550
2-amino-N-(1-thiophen-2-ylpropyl)pyridine-4-carboxamide
CID 62159520
4-chloro-N-(1-thiophen-2-ylpropyl)pyridine-2-carboxamide
CID 47316513
2-chloro-N-(1-ethoxypropan-2-yl)-6-(ethylamino)pyridine-4-carboxamide
CID 62175806
2-(ethylamino)-N-(1-thiophen-2-ylpropyl)pyridine-3-carboxamide
CID 62179628

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(ethylamino)-N-(1-thiophen-2-ylpropyl)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-6-(ethylamino)-N-(1-thiophen-2-ylpropyl)pyridine-4-carboxamide (CID 62179108) is 2-chloro-6-(ethylamino)-N-(1-thiophen-2-ylpropyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-6-(ethylamino)-N-(1-thiophen-2-ylpropyl)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-6-(ethylamino)-N-(1-thiophen-2-ylpropyl)pyridine-4-carboxamide is CCNc1cc(C(=O)NC(CC)c2cccs2)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-(ethylamino)-N-(1-thiophen-2-ylpropyl)pyridine-4-carboxamide?
The InChIKey is RGNBFNUSZAIYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3OS/c1-3-11(12-6-5-7-21-12)18-15(20)10-8-13(16)19-14(9-10)17-4-2/h5-9,11H,3-4H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 2-chloro-6-(ethylamino)-N-(1-thiophen-2-ylpropyl)pyridine-4-carboxamide?
2-chloro-6-(ethylamino)-N-(1-thiophen-2-ylpropyl)pyridine-4-carboxamide has a molecular weight of 323.85 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(ethylamino)-N-(1-thiophen-2-ylpropyl)pyridine-4-carboxamide is sourced from PubChem (CID 62179108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).