3-(ethylamino)-N-(1-thiophen-2-ylbutyl)pyridine-4-carboxamide

C16H21N3OS — CID 105069176

IUPAC3-(ethylamino)-N-(1-thiophen-2-ylbutyl)pyridine-4-carboxamide
SMILESCCCC(NC(=O)c1ccncc1NCC)c1cccs1
InChIInChI=1S/C16H21N3OS/c1-3-6-13(15-7-5-10-21-15)19-16(20)12-8-9-17-11-14(12)18-4-2/h5,7-11,13,18H,3-4,6H2,1-2H3,(H,19,20)
InChIKeyQDZQGXNJJCEELH-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.85
Rot. Bonds7

About 3-(ethylamino)-N-(1-thiophen-2-ylbutyl)pyridine-4-carboxamide

3-(ethylamino)-N-(1-thiophen-2-ylbutyl)pyridine-4-carboxamide (PubChem CID 105069176) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 3-(ethylamino)-N-(1-thiophen-2-ylbutyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-(ethylamino)-N-(1-thiophen-2-ylbutyl)pyridine-4-carboxamide
PubChem CID105069176
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name3-(ethylamino)-N-(1-thiophen-2-ylbutyl)pyridine-4-carboxamide
SMILESCCCC(NC(=O)c1ccncc1NCC)c1cccs1
InChIInChI=1S/C16H21N3OS/c1-3-6-13(15-7-5-10-21-15)19-16(20)12-8-9-17-11-14(12)18-4-2/h5,7-11,13,18H,3-4,6H2,1-2H3,(H,19,20)
InChIKeyQDZQGXNJJCEELH-UHFFFAOYSA-N
XLogP3.85
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(propylamino)-N-(1-thiophen-2-ylethyl)pyridine-4-carboxamide
CID 105068619
2-[2-[[(1R)-1-thiophen-2-ylbutyl]carbamoyl]anilino]acetic acid
CID 95143397
3-chloro-N-(3-hydroxy-1-thiophen-2-ylpropyl)pyridine-4-carboxamide
CID 75393355
3-(ethylamino)-N-(5-methylhexan-2-yl)pyridine-4-carboxamide
CID 105070222
3-[(3-chloropyridine-4-carbonyl)amino]-3-thiophen-2-ylpropanoic acid
CID 66482357
5,6-dichloro-N-(1-thiophen-2-ylbutyl)pyridine-3-carboxamide
CID 61381170
3-(ethylamino)-N-(1-methylsulfanylbutan-2-yl)pyridine-4-carboxamide
CID 105071292
N-(1-amino-3-methyl-1-oxobutan-2-yl)-3-(ethylamino)pyridine-4-carboxamide
CID 106347123
2-bromo-N-(1-thiophen-2-ylbutyl)propanamide
CID 107904985
2-fluoro-5-methyl-N-(1-thiophen-2-ylbutyl)benzamide
CID 62513846
6-bromo-N-(1-thiophen-2-ylbutyl)pyridine-3-carboxamide
CID 66464915
2-(ethylamino)-N-(1-thiophen-2-ylpropyl)pyridine-3-carboxamide
CID 62179628

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-(1-thiophen-2-ylbutyl)pyridine-4-carboxamide?
The IUPAC name of 3-(ethylamino)-N-(1-thiophen-2-ylbutyl)pyridine-4-carboxamide (CID 105069176) is 3-(ethylamino)-N-(1-thiophen-2-ylbutyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-(ethylamino)-N-(1-thiophen-2-ylbutyl)pyridine-4-carboxamide?
The canonical SMILES for 3-(ethylamino)-N-(1-thiophen-2-ylbutyl)pyridine-4-carboxamide is CCCC(NC(=O)c1ccncc1NCC)c1cccs1.
What is the InChIKey of 3-(ethylamino)-N-(1-thiophen-2-ylbutyl)pyridine-4-carboxamide?
The InChIKey is QDZQGXNJJCEELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-3-6-13(15-7-5-10-21-15)19-16(20)12-8-9-17-11-14(12)18-4-2/h5,7-11,13,18H,3-4,6H2,1-2H3,(H,19,20).
What are the key properties of 3-(ethylamino)-N-(1-thiophen-2-ylbutyl)pyridine-4-carboxamide?
3-(ethylamino)-N-(1-thiophen-2-ylbutyl)pyridine-4-carboxamide has a molecular weight of 303.43 g/mol, XLogP of 3.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-(1-thiophen-2-ylbutyl)pyridine-4-carboxamide is sourced from PubChem (CID 105069176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).