5-chloro-N-[[1-[4-(2-oxo-1-pyridinyl)-2-pyridin-3-ylphenyl]triazol-4-yl]methyl]thiophene-2-carboxamide

C24H17ClN6O2S — CID 59849057

IUPAC5-chloro-N-[[1-[4-(2-oxo-1-pyridinyl)-2-pyridin-3-ylphenyl]triazol-4-yl]methyl]thiophene-2-carboxamide
SMILESO=C(NCc1cn(-c2ccc(-n3ccccc3=O)cc2-c2cccnc2)nn1)c1ccc(Cl)s1
InChIInChI=1S/C24H17ClN6O2S/c25-22-9-8-21(34-22)24(33)27-14-17-15-31(29-28-17)20-7-6-18(30-11-2-1-5-23(30)32)12-19(20)16-4-3-10-26-13-16/h1-13,15H,14H2,(H,27,33)
InChIKeyZFIPBQUPVCNAIP-UHFFFAOYSA-N
MW488.96 g/mol
LogP4.13
Rot. Bonds6

About 5-chloro-N-[[1-[4-(2-oxo-1-pyridinyl)-2-pyridin-3-ylphenyl]triazol-4-yl]methyl]thiophene-2-carboxamide

5-chloro-N-[[1-[4-(2-oxo-1-pyridinyl)-2-pyridin-3-ylphenyl]triazol-4-yl]methyl]thiophene-2-carboxamide (PubChem CID 59849057) has the molecular formula C24H17ClN6O2S and a molecular weight of 488.96 g/mol. Its IUPAC name is 5-chloro-N-[[1-[4-(2-oxo-1-pyridinyl)-2-pyridin-3-ylphenyl]triazol-4-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[[1-[4-(2-oxo-1-pyridinyl)-2-pyridin-3-ylphenyl]triazol-4-yl]methyl]thiophene-2-carboxamide
PubChem CID59849057
Molecular FormulaC24H17ClN6O2S
Molecular Weight488.96 g/mol
Exact Mass488.08
IUPAC Name5-chloro-N-[[1-[4-(2-oxo-1-pyridinyl)-2-pyridin-3-ylphenyl]triazol-4-yl]methyl]thiophene-2-carboxamide
SMILESO=C(NCc1cn(-c2ccc(-n3ccccc3=O)cc2-c2cccnc2)nn1)c1ccc(Cl)s1
InChIInChI=1S/C24H17ClN6O2S/c25-22-9-8-21(34-22)24(33)27-14-17-15-31(29-28-17)20-7-6-18(30-11-2-1-5-23(30)32)12-19(20)16-4-3-10-26-13-16/h1-13,15H,14H2,(H,27,33)
InChIKeyZFIPBQUPVCNAIP-UHFFFAOYSA-N
XLogP4.13
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.96
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[1-[4-(2-oxo-1-pyridinyl)-2-pyridin-3-ylphenyl]triazol-4-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[[1-[4-(2-oxo-1-pyridinyl)-2-pyridin-3-ylphenyl]triazol-4-yl]methyl]thiophene-2-carboxamide (CID 59849057) is 5-chloro-N-[[1-[4-(2-oxo-1-pyridinyl)-2-pyridin-3-ylphenyl]triazol-4-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[[1-[4-(2-oxo-1-pyridinyl)-2-pyridin-3-ylphenyl]triazol-4-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[[1-[4-(2-oxo-1-pyridinyl)-2-pyridin-3-ylphenyl]triazol-4-yl]methyl]thiophene-2-carboxamide is O=C(NCc1cn(-c2ccc(-n3ccccc3=O)cc2-c2cccnc2)nn1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[[1-[4-(2-oxo-1-pyridinyl)-2-pyridin-3-ylphenyl]triazol-4-yl]methyl]thiophene-2-carboxamide?
The InChIKey is ZFIPBQUPVCNAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClN6O2S/c25-22-9-8-21(34-22)24(33)27-14-17-15-31(29-28-17)20-7-6-18(30-11-2-1-5-23(30)32)12-19(20)16-4-3-10-26-13-16/h1-13,15H,14H2,(H,27,33).
What are the key properties of 5-chloro-N-[[1-[4-(2-oxo-1-pyridinyl)-2-pyridin-3-ylphenyl]triazol-4-yl]methyl]thiophene-2-carboxamide?
5-chloro-N-[[1-[4-(2-oxo-1-pyridinyl)-2-pyridin-3-ylphenyl]triazol-4-yl]methyl]thiophene-2-carboxamide has a molecular weight of 488.96 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[1-[4-(2-oxo-1-pyridinyl)-2-pyridin-3-ylphenyl]triazol-4-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 59849057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).