5-chloro-6-(propylamino)-N-thiophen-3-ylpyridine-3-carboxamide

C13H14ClN3OS — CID 66355264

IUPAC5-chloro-6-(propylamino)-N-thiophen-3-ylpyridine-3-carboxamide
SMILESCCCNc1ncc(C(=O)Nc2ccsc2)cc1Cl
InChIInChI=1S/C13H14ClN3OS/c1-2-4-15-12-11(14)6-9(7-16-12)13(18)17-10-3-5-19-8-10/h3,5-8H,2,4H2,1H3,(H,15,16)(H,17,18)
InChIKeyVVZUEKIEVNIRKU-UHFFFAOYSA-N
MW295.80 g/mol
LogP3.87
Rot. Bonds5

About 5-chloro-6-(propylamino)-N-thiophen-3-ylpyridine-3-carboxamide

5-chloro-6-(propylamino)-N-thiophen-3-ylpyridine-3-carboxamide (PubChem CID 66355264) has the molecular formula C13H14ClN3OS and a molecular weight of 295.80 g/mol. Its IUPAC name is 5-chloro-6-(propylamino)-N-thiophen-3-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-(propylamino)-N-thiophen-3-ylpyridine-3-carboxamide
PubChem CID66355264
Molecular FormulaC13H14ClN3OS
Molecular Weight295.80 g/mol
Exact Mass295.05
IUPAC Name5-chloro-6-(propylamino)-N-thiophen-3-ylpyridine-3-carboxamide
SMILESCCCNc1ncc(C(=O)Nc2ccsc2)cc1Cl
InChIInChI=1S/C13H14ClN3OS/c1-2-4-15-12-11(14)6-9(7-16-12)13(18)17-10-3-5-19-8-10/h3,5-8H,2,4H2,1H3,(H,15,16)(H,17,18)
InChIKeyVVZUEKIEVNIRKU-UHFFFAOYSA-N
XLogP3.87
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.80
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-6-(ethylamino)-N-thiophen-3-ylpyridine-3-carboxamide
CID 66353786
5-chloro-N-(3-chlorophenyl)-6-(propylamino)pyridine-3-carboxamide
CID 25176417
5-(propylamino)-N-thiophen-3-ylpyridine-2-carboxamide
CID 104641679
N-tert-butyl-5-chloro-6-(propylamino)pyridine-3-carboxamide
CID 62171459
N-(2-bromophenyl)-5-chloro-6-(propylamino)pyridine-3-carboxamide
CID 62166024
5-chloro-6-(propylamino)-N-thiophen-3-ylpyridine-3-sulfonamide
CID 66354828
5-chloro-N-(6-methyl-2-pyridinyl)-6-(propylamino)pyridine-3-carboxamide
CID 62170701
5-chloro-N-cyclobutyl-6-(propylamino)pyridine-3-carboxamide
CID 62414075
5-chloro-6-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 62172627
5-chloro-N-(1,2-oxazol-5-ylmethyl)-6-(propylamino)pyridine-3-carboxamide
CID 106423014
5-chloro-N-piperidin-1-yl-6-(propylamino)pyridine-3-carboxamide
CID 83023979
N-(5-amino-5-oxopentyl)-5-chloro-6-(propylamino)pyridine-3-carboxamide
CID 106241047

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(propylamino)-N-thiophen-3-ylpyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-(propylamino)-N-thiophen-3-ylpyridine-3-carboxamide (CID 66355264) is 5-chloro-6-(propylamino)-N-thiophen-3-ylpyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-(propylamino)-N-thiophen-3-ylpyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-(propylamino)-N-thiophen-3-ylpyridine-3-carboxamide is CCCNc1ncc(C(=O)Nc2ccsc2)cc1Cl.
What is the InChIKey of 5-chloro-6-(propylamino)-N-thiophen-3-ylpyridine-3-carboxamide?
The InChIKey is VVZUEKIEVNIRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3OS/c1-2-4-15-12-11(14)6-9(7-16-12)13(18)17-10-3-5-19-8-10/h3,5-8H,2,4H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 5-chloro-6-(propylamino)-N-thiophen-3-ylpyridine-3-carboxamide?
5-chloro-6-(propylamino)-N-thiophen-3-ylpyridine-3-carboxamide has a molecular weight of 295.80 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(propylamino)-N-thiophen-3-ylpyridine-3-carboxamide is sourced from PubChem (CID 66355264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).