5-methyl-N-[2-oxo-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)anilino]ethyl]thiophene-2-carboxamide

C20H21N5O2S — CID 75462875

IUPAC5-methyl-N-[2-oxo-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)anilino]ethyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCC(=O)Nc2ccc(-c3nnc4n3CCCC4)cc2)s1
InChIInChI=1S/C20H21N5O2S/c1-13-5-10-16(28-13)20(27)21-12-18(26)22-15-8-6-14(7-9-15)19-24-23-17-4-2-3-11-25(17)19/h5-10H,2-4,11-12H2,1H3,(H,21,27)(H,22,26)
InChIKeyQHLUNXCMRUCKOC-UHFFFAOYSA-N
MW395.49 g/mol
LogP3.02
Rot. Bonds5

About 5-methyl-N-[2-oxo-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)anilino]ethyl]thiophene-2-carboxamide

5-methyl-N-[2-oxo-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)anilino]ethyl]thiophene-2-carboxamide (PubChem CID 75462875) has the molecular formula C20H21N5O2S and a molecular weight of 395.49 g/mol. Its IUPAC name is 5-methyl-N-[2-oxo-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)anilino]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-oxo-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)anilino]ethyl]thiophene-2-carboxamide
PubChem CID75462875
Molecular FormulaC20H21N5O2S
Molecular Weight395.49 g/mol
Exact Mass395.14
IUPAC Name5-methyl-N-[2-oxo-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)anilino]ethyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCC(=O)Nc2ccc(-c3nnc4n3CCCC4)cc2)s1
InChIInChI=1S/C20H21N5O2S/c1-13-5-10-16(28-13)20(27)21-12-18(26)22-15-8-6-14(7-9-15)19-24-23-17-4-2-3-11-25(17)19/h5-10H,2-4,11-12H2,1H3,(H,21,27)(H,22,26)
InChIKeyQHLUNXCMRUCKOC-UHFFFAOYSA-N
XLogP3.02
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.49
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-methyl-N-[2-oxo-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)anilino]ethyl]thiophene-2-carboxamide with MolForge

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Related Compounds

2-(methylamino)-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]acetamide
CID 120704440
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CID 9468357
5-bromo-N-[2-oxo-2-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)anilino]ethyl]furan-2-carboxamide
CID 24574689
5-methyl-N-[2-methyl-5-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]thiophene-2-carboxamide
CID 35010182
2-amino-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]acetamide
CID 119264296
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CID 2366584
4-(methylamino)-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]butanamide;dihydrochloride
CID 119883329
2-(4-bromophenyl)-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]acetamide
CID 4810917
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CID 27154022
2-[(2R)-pyrrolidin-2-yl]-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]acetamide
CID 167840711
7-amino-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]heptanamide
CID 119883320
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CID 55849696

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-oxo-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)anilino]ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-[2-oxo-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)anilino]ethyl]thiophene-2-carboxamide (CID 75462875) is 5-methyl-N-[2-oxo-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)anilino]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-oxo-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)anilino]ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-[2-oxo-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)anilino]ethyl]thiophene-2-carboxamide is Cc1ccc(C(=O)NCC(=O)Nc2ccc(-c3nnc4n3CCCC4)cc2)s1.
What is the InChIKey of 5-methyl-N-[2-oxo-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)anilino]ethyl]thiophene-2-carboxamide?
The InChIKey is QHLUNXCMRUCKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2S/c1-13-5-10-16(28-13)20(27)21-12-18(26)22-15-8-6-14(7-9-15)19-24-23-17-4-2-3-11-25(17)19/h5-10H,2-4,11-12H2,1H3,(H,21,27)(H,22,26).
What are the key properties of 5-methyl-N-[2-oxo-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)anilino]ethyl]thiophene-2-carboxamide?
5-methyl-N-[2-oxo-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)anilino]ethyl]thiophene-2-carboxamide has a molecular weight of 395.49 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-oxo-2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)anilino]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 75462875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).