N-[6-(1,3-thiazol-5-yl)cinnolin-3-yl]pyridine-4-carboxamide

C17H11N5OS — CID 138588496

IUPACN-[6-(1,3-thiazol-5-yl)cinnolin-3-yl]pyridine-4-carboxamide
SMILESO=C(Nc1cc2cc(-c3cncs3)ccc2nn1)c1ccncc1
InChIInChI=1S/C17H11N5OS/c23-17(11-3-5-18-6-4-11)20-16-8-13-7-12(15-9-19-10-24-15)1-2-14(13)21-22-16/h1-10H,(H,20,22,23)
InChIKeyMUYHJIDVFJFRME-UHFFFAOYSA-N
MW333.38 g/mol
LogP3.40
Rot. Bonds3

About N-[6-(1,3-thiazol-5-yl)cinnolin-3-yl]pyridine-4-carboxamide

N-[6-(1,3-thiazol-5-yl)cinnolin-3-yl]pyridine-4-carboxamide (PubChem CID 138588496) has the molecular formula C17H11N5OS and a molecular weight of 333.38 g/mol. Its IUPAC name is N-[6-(1,3-thiazol-5-yl)cinnolin-3-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[6-(1,3-thiazol-5-yl)cinnolin-3-yl]pyridine-4-carboxamide
PubChem CID138588496
Molecular FormulaC17H11N5OS
Molecular Weight333.38 g/mol
Exact Mass333.07
IUPAC NameN-[6-(1,3-thiazol-5-yl)cinnolin-3-yl]pyridine-4-carboxamide
SMILESO=C(Nc1cc2cc(-c3cncs3)ccc2nn1)c1ccncc1
InChIInChI=1S/C17H11N5OS/c23-17(11-3-5-18-6-4-11)20-16-8-13-7-12(15-9-19-10-24-15)1-2-14(13)21-22-16/h1-10H,(H,20,22,23)
InChIKeyMUYHJIDVFJFRME-UHFFFAOYSA-N
XLogP3.40
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[6-(1,3-thiazol-5-yl)cinnolin-3-yl]pyridine-4-carboxamide
CID 138589499
2-(4-methylpiperazin-1-yl)-N-[6-(1,3,4-thiadiazol-2-yl)cinnolin-3-yl]pyridine-4-carboxamide
CID 138588795
N-(6-pyridin-3-ylcinnolin-3-yl)acetamide
CID 154592116
N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-1,3-benzothiazole-5-carboxamide
CID 138589377
2-(3,3-difluoroazetidin-1-yl)-N-[6-(3-methylimidazol-4-yl)cinnolin-3-yl]pyridine-4-carboxamide
CID 138587728
2,3,5,6-tetradeuterio-N-[6-(3-methylimidazol-4-yl)cinnolin-3-yl]-4-(trideuteriomethoxy)benzamide
CID 138590458
5-isoquinolin-6-yl-1,3-thiazole
CID 168925552
N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]quinoline-3-carboxamide
CID 138588149
N-(1,3-thiazol-2-yl)-2-(1,3-thiazol-5-yl)pyridine-4-carboxamide
CID 110131633
N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-2-(pyrrolidin-1-ylmethyl)pyridine-4-carboxamide
CID 138587835
3-(1-methylpiperidin-4-yl)oxy-N-[6-(1,3,4-thiadiazol-2-yl)cinnolin-3-yl]benzamide
CID 138588083
2-[4-(2-fluoroethyl)piperazin-1-yl]-N-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]pyridine-4-carboxamide
CID 138588588

Frequently Asked Questions

What is the IUPAC name of N-[6-(1,3-thiazol-5-yl)cinnolin-3-yl]pyridine-4-carboxamide?
The IUPAC name of N-[6-(1,3-thiazol-5-yl)cinnolin-3-yl]pyridine-4-carboxamide (CID 138588496) is N-[6-(1,3-thiazol-5-yl)cinnolin-3-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[6-(1,3-thiazol-5-yl)cinnolin-3-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[6-(1,3-thiazol-5-yl)cinnolin-3-yl]pyridine-4-carboxamide is O=C(Nc1cc2cc(-c3cncs3)ccc2nn1)c1ccncc1.
What is the InChIKey of N-[6-(1,3-thiazol-5-yl)cinnolin-3-yl]pyridine-4-carboxamide?
The InChIKey is MUYHJIDVFJFRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N5OS/c23-17(11-3-5-18-6-4-11)20-16-8-13-7-12(15-9-19-10-24-15)1-2-14(13)21-22-16/h1-10H,(H,20,22,23).
What are the key properties of N-[6-(1,3-thiazol-5-yl)cinnolin-3-yl]pyridine-4-carboxamide?
N-[6-(1,3-thiazol-5-yl)cinnolin-3-yl]pyridine-4-carboxamide has a molecular weight of 333.38 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1,3-thiazol-5-yl)cinnolin-3-yl]pyridine-4-carboxamide is sourced from PubChem (CID 138588496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).