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

C15H18ClN3OS — CID 106050385

IUPACN-[2-(5-chlorothiophen-2-yl)ethyl]-3-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cnccc1C(=O)NCCc1ccc(Cl)s1
InChIInChI=1S/C15H18ClN3OS/c1-2-7-18-13-10-17-8-6-12(13)15(20)19-9-5-11-3-4-14(16)21-11/h3-4,6,8,10,18H,2,5,7,9H2,1H3,(H,19,20)
InChIKeyQNUIFIUORJLYOH-UHFFFAOYSA-N
MW323.85 g/mol
LogP3.59
Rot. Bonds7

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

N-[2-(5-chlorothiophen-2-yl)ethyl]-3-(propylamino)pyridine-4-carboxamide (PubChem CID 106050385) has the molecular formula C15H18ClN3OS and a molecular weight of 323.85 g/mol. Its IUPAC name is N-[2-(5-chlorothiophen-2-yl)ethyl]-3-(propylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(5-chlorothiophen-2-yl)ethyl]-3-(propylamino)pyridine-4-carboxamide
PubChem CID106050385
Molecular FormulaC15H18ClN3OS
Molecular Weight323.85 g/mol
Exact Mass323.09
IUPAC NameN-[2-(5-chlorothiophen-2-yl)ethyl]-3-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cnccc1C(=O)NCCc1ccc(Cl)s1
InChIInChI=1S/C15H18ClN3OS/c1-2-7-18-13-10-17-8-6-12(13)15(20)19-9-5-11-3-4-14(16)21-11/h3-4,6,8,10,18H,2,5,7,9H2,1H3,(H,19,20)
InChIKeyQNUIFIUORJLYOH-UHFFFAOYSA-N
XLogP3.59
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.85
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(5-chlorothiophen-2-yl)ethyl]-4-(ethylamino)pyridine-3-carboxamide
CID 106050398
N-[2-(furan-2-yl)ethyl]-3-(propylamino)pyridine-4-carboxamide
CID 105069134
N-[2-(1H-imidazol-2-yl)ethyl]-3-(propylamino)pyridine-4-carboxamide
CID 105071332
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methylamino)benzamide
CID 106049286
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(propylamino)pyridine-4-carboxamide
CID 105069218
N-[2-(dimethylsulfamoyl)ethyl]-3-(propylamino)pyridine-4-carboxamide
CID 106342677
N-[3-(dimethylamino)propyl]-3-(propylamino)pyridine-4-carboxamide
CID 105068347
N-(3-methylsulfanylpropyl)-3-(propylamino)pyridine-4-carboxamide
CID 105070236
N-(3-butoxypropyl)-3-(propylamino)pyridine-4-carboxamide
CID 105071243
N-[2-(5-chlorothiophen-2-yl)ethyl]-6-(propylamino)pyridine-2-carboxamide
CID 106050291
N-[(3-methyl-4-pyridinyl)methyl]-3-(propylamino)pyridine-4-carboxamide
CID 105071463
N-(3-cyclopropylpropyl)-3-(propylamino)pyridine-4-carboxamide
CID 105071385

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-3-(propylamino)pyridine-4-carboxamide?
The IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-3-(propylamino)pyridine-4-carboxamide (CID 106050385) is N-[2-(5-chlorothiophen-2-yl)ethyl]-3-(propylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(5-chlorothiophen-2-yl)ethyl]-3-(propylamino)pyridine-4-carboxamide?
The canonical SMILES for N-[2-(5-chlorothiophen-2-yl)ethyl]-3-(propylamino)pyridine-4-carboxamide is CCCNc1cnccc1C(=O)NCCc1ccc(Cl)s1.
What is the InChIKey of N-[2-(5-chlorothiophen-2-yl)ethyl]-3-(propylamino)pyridine-4-carboxamide?
The InChIKey is QNUIFIUORJLYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3OS/c1-2-7-18-13-10-17-8-6-12(13)15(20)19-9-5-11-3-4-14(16)21-11/h3-4,6,8,10,18H,2,5,7,9H2,1H3,(H,19,20).
What are the key properties of N-[2-(5-chlorothiophen-2-yl)ethyl]-3-(propylamino)pyridine-4-carboxamide?
N-[2-(5-chlorothiophen-2-yl)ethyl]-3-(propylamino)pyridine-4-carboxamide has a molecular weight of 323.85 g/mol, XLogP of 3.59, 7 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]-3-(propylamino)pyridine-4-carboxamide is sourced from PubChem (CID 106050385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).