N-[2-(5-chlorothiophen-2-yl)ethyl]-6-(propylamino)pyridine-2-carboxamide

C15H18ClN3OS — CID 106050291

IUPACN-[2-(5-chlorothiophen-2-yl)ethyl]-6-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1cccc(C(=O)NCCc2ccc(Cl)s2)n1
InChIInChI=1S/C15H18ClN3OS/c1-2-9-17-14-5-3-4-12(19-14)15(20)18-10-8-11-6-7-13(16)21-11/h3-7H,2,8-10H2,1H3,(H,17,19)(H,18,20)
InChIKeyLSKDUAWAQYNXKX-UHFFFAOYSA-N
MW323.85 g/mol
LogP3.59
Rot. Bonds7

About N-[2-(5-chlorothiophen-2-yl)ethyl]-6-(propylamino)pyridine-2-carboxamide

N-[2-(5-chlorothiophen-2-yl)ethyl]-6-(propylamino)pyridine-2-carboxamide (PubChem CID 106050291) 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]-6-(propylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(5-chlorothiophen-2-yl)ethyl]-6-(propylamino)pyridine-2-carboxamide
PubChem CID106050291
Molecular FormulaC15H18ClN3OS
Molecular Weight323.85 g/mol
Exact Mass323.09
IUPAC NameN-[2-(5-chlorothiophen-2-yl)ethyl]-6-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1cccc(C(=O)NCCc2ccc(Cl)s2)n1
InChIInChI=1S/C15H18ClN3OS/c1-2-9-17-14-5-3-4-12(19-14)15(20)18-10-8-11-6-7-13(16)21-11/h3-7H,2,8-10H2,1H3,(H,17,19)(H,18,20)
InChIKeyLSKDUAWAQYNXKX-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

6-(propylamino)-N-(2-pyridin-3-ylethyl)pyridine-2-carboxamide
CID 62240151
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-(propylamino)pyridine-2-carboxamide
CID 107643149
N-[2-(ethylamino)-2-oxoethyl]-6-(propylamino)pyridine-2-carboxamide
CID 55052141
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-(propylamino)pyridine-2-carboxamide
CID 63330785
N-[2-(5-chlorothiophen-2-yl)ethyl]-3-(propylamino)pyridine-4-carboxamide
CID 106050385
N-(3-methyl-2-propan-2-ylbutyl)-6-(propylamino)pyridine-2-carboxamide
CID 102907982
N-(2-fluorophenyl)-6-(propylamino)pyridine-2-carboxamide
CID 62239443
N-propan-2-yl-6-(propylamino)pyridine-2-carboxamide
CID 62240109
N-(4-iodophenyl)-6-(propylamino)pyridine-2-carboxamide
CID 63499138
N-(2-methylphenyl)-6-(propylamino)pyridine-2-carboxamide
CID 62240814
N-[2-(5-chlorothiophen-2-yl)ethyl]-5-hydrazinylpyrazine-2-carboxamide
CID 114139758
N-(2,5-dichlorophenyl)-6-(propylamino)pyridine-2-carboxamide
CID 62240936

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-6-(propylamino)pyridine-2-carboxamide?
The IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-6-(propylamino)pyridine-2-carboxamide (CID 106050291) is N-[2-(5-chlorothiophen-2-yl)ethyl]-6-(propylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(5-chlorothiophen-2-yl)ethyl]-6-(propylamino)pyridine-2-carboxamide?
The canonical SMILES for N-[2-(5-chlorothiophen-2-yl)ethyl]-6-(propylamino)pyridine-2-carboxamide is CCCNc1cccc(C(=O)NCCc2ccc(Cl)s2)n1.
What is the InChIKey of N-[2-(5-chlorothiophen-2-yl)ethyl]-6-(propylamino)pyridine-2-carboxamide?
The InChIKey is LSKDUAWAQYNXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3OS/c1-2-9-17-14-5-3-4-12(19-14)15(20)18-10-8-11-6-7-13(16)21-11/h3-7H,2,8-10H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N-[2-(5-chlorothiophen-2-yl)ethyl]-6-(propylamino)pyridine-2-carboxamide?
N-[2-(5-chlorothiophen-2-yl)ethyl]-6-(propylamino)pyridine-2-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]-6-(propylamino)pyridine-2-carboxamide is sourced from PubChem (CID 106050291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).