N-[2-(5-chlorothiophen-2-yl)ethyl]-4-(ethylamino)pyridine-3-carboxamide

C14H16ClN3OS — CID 106050398

IUPACN-[2-(5-chlorothiophen-2-yl)ethyl]-4-(ethylamino)pyridine-3-carboxamide
SMILESCCNc1ccncc1C(=O)NCCc1ccc(Cl)s1
InChIInChI=1S/C14H16ClN3OS/c1-2-17-12-6-7-16-9-11(12)14(19)18-8-5-10-3-4-13(15)20-10/h3-4,6-7,9H,2,5,8H2,1H3,(H,16,17)(H,18,19)
InChIKeyWQNFXRIOIRTARS-UHFFFAOYSA-N
MW309.82 g/mol
LogP3.20
Rot. Bonds6

About N-[2-(5-chlorothiophen-2-yl)ethyl]-4-(ethylamino)pyridine-3-carboxamide

N-[2-(5-chlorothiophen-2-yl)ethyl]-4-(ethylamino)pyridine-3-carboxamide (PubChem CID 106050398) has the molecular formula C14H16ClN3OS and a molecular weight of 309.82 g/mol. Its IUPAC name is N-[2-(5-chlorothiophen-2-yl)ethyl]-4-(ethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(5-chlorothiophen-2-yl)ethyl]-4-(ethylamino)pyridine-3-carboxamide
PubChem CID106050398
Molecular FormulaC14H16ClN3OS
Molecular Weight309.82 g/mol
Exact Mass309.07
IUPAC NameN-[2-(5-chlorothiophen-2-yl)ethyl]-4-(ethylamino)pyridine-3-carboxamide
SMILESCCNc1ccncc1C(=O)NCCc1ccc(Cl)s1
InChIInChI=1S/C14H16ClN3OS/c1-2-17-12-6-7-16-9-11(12)14(19)18-8-5-10-3-4-13(15)20-10/h3-4,6-7,9H,2,5,8H2,1H3,(H,16,17)(H,18,19)
InChIKeyWQNFXRIOIRTARS-UHFFFAOYSA-N
XLogP3.20
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(5-chlorothiophen-2-yl)ethyl]-3-(propylamino)pyridine-4-carboxamide
CID 106050385
N-[2-(dimethylamino)ethyl]-4-(ethylamino)pyridine-3-carboxamide
CID 81236873
N-(3-amino-3-oxopropyl)-4-(ethylamino)pyridine-3-carboxamide
CID 81243085
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methylamino)benzamide
CID 106049286
N-(2,2-dimethylbutyl)-4-(ethylamino)pyridine-3-carboxamide
CID 103464518
4-(ethylamino)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-carboxamide
CID 81241199
N-(2,2-dimethylpropyl)-4-(ethylamino)pyridine-3-carboxamide
CID 81242453
4-(ethylamino)-N-[2-(methanesulfonamido)ethyl]pyridine-3-carboxamide
CID 81242784
4-(ethylamino)-N-(7-methyloctyl)pyridine-3-carboxamide
CID 107817983
4-(ethylamino)-N-(3-sulfamoylpropyl)pyridine-3-carboxamide
CID 81242250
4-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)pyridine-3-carboxamide
CID 106327044
N-(2,3-dimethylbutyl)-4-(ethylamino)pyridine-3-carboxamide
CID 81246052

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-4-(ethylamino)pyridine-3-carboxamide?
The IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-4-(ethylamino)pyridine-3-carboxamide (CID 106050398) is N-[2-(5-chlorothiophen-2-yl)ethyl]-4-(ethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(5-chlorothiophen-2-yl)ethyl]-4-(ethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[2-(5-chlorothiophen-2-yl)ethyl]-4-(ethylamino)pyridine-3-carboxamide is CCNc1ccncc1C(=O)NCCc1ccc(Cl)s1.
What is the InChIKey of N-[2-(5-chlorothiophen-2-yl)ethyl]-4-(ethylamino)pyridine-3-carboxamide?
The InChIKey is WQNFXRIOIRTARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3OS/c1-2-17-12-6-7-16-9-11(12)14(19)18-8-5-10-3-4-13(15)20-10/h3-4,6-7,9H,2,5,8H2,1H3,(H,16,17)(H,18,19).
What are the key properties of N-[2-(5-chlorothiophen-2-yl)ethyl]-4-(ethylamino)pyridine-3-carboxamide?
N-[2-(5-chlorothiophen-2-yl)ethyl]-4-(ethylamino)pyridine-3-carboxamide has a molecular weight of 309.82 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chlorothiophen-2-yl)ethyl]-4-(ethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 106050398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).