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

C18H18N4OS — CID 91889062

IUPAC3-methyl-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]thiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1cccc(-c2nnc3n2CCCC3)c1
InChIInChI=1S/C18H18N4OS/c1-12-8-10-24-16(12)18(23)19-14-6-4-5-13(11-14)17-21-20-15-7-2-3-9-22(15)17/h4-6,8,10-11H,2-3,7,9H2,1H3,(H,19,23)
InChIKeyMYUORTGATNSKFU-UHFFFAOYSA-N
MW338.44 g/mol
LogP3.90
Rot. Bonds3

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

3-methyl-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]thiophene-2-carboxamide (PubChem CID 91889062) has the molecular formula C18H18N4OS and a molecular weight of 338.44 g/mol. Its IUPAC name is 3-methyl-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]thiophene-2-carboxamide
PubChem CID91889062
Molecular FormulaC18H18N4OS
Molecular Weight338.44 g/mol
Exact Mass338.12
IUPAC Name3-methyl-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]thiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1cccc(-c2nnc3n2CCCC3)c1
InChIInChI=1S/C18H18N4OS/c1-12-8-10-24-16(12)18(23)19-14-6-4-5-13(11-14)17-21-20-15-7-2-3-9-22(15)17/h4-6,8,10-11H,2-3,7,9H2,1H3,(H,19,23)
InChIKeyMYUORTGATNSKFU-UHFFFAOYSA-N
XLogP3.90
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dimethyl-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]thiophene-3-carboxamide
CID 55382964
N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]acetamide
CID 34855811
3-methyl-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]benzamide
CID 7761249
4-ethyl-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]thiadiazole-5-carboxamide
CID 9206575
4-acetamido-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]benzamide
CID 41489293
4-ethyl-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]benzamide
CID 91889057
N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]cyclopropanecarboxamide
CID 91664140
4-chloro-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]benzamide
CID 91889079
N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]propanamide
CID 41489286
methyl 5-[[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]carbamoyl]thiophene-2-carboxylate
CID 38757487
3,5-dichloro-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]benzamide
CID 18289911
4-amino-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]benzamide
CID 119680951

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]thiophene-2-carboxamide?
The IUPAC name of 3-methyl-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]thiophene-2-carboxamide (CID 91889062) is 3-methyl-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 3-methyl-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]thiophene-2-carboxamide is Cc1ccsc1C(=O)Nc1cccc(-c2nnc3n2CCCC3)c1.
What is the InChIKey of 3-methyl-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]thiophene-2-carboxamide?
The InChIKey is MYUORTGATNSKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4OS/c1-12-8-10-24-16(12)18(23)19-14-6-4-5-13(11-14)17-21-20-15-7-2-3-9-22(15)17/h4-6,8,10-11H,2-3,7,9H2,1H3,(H,19,23).
What are the key properties of 3-methyl-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]thiophene-2-carboxamide?
3-methyl-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]thiophene-2-carboxamide has a molecular weight of 338.44 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 91889062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).