N-[[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide

C19H15N5O2S — CID 47045169

IUPACN-[[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide
SMILESO=C(Nc1nnc2ccccn12)c1ccc(CNC(=O)c2cccs2)cc1
InChIInChI=1S/C19H15N5O2S/c25-17(21-19-23-22-16-5-1-2-10-24(16)19)14-8-6-13(7-9-14)12-20-18(26)15-4-3-11-27-15/h1-11H,12H2,(H,20,26)(H,21,23,25)
InChIKeyNQXPJKSBTZLGIR-UHFFFAOYSA-N
MW377.43 g/mol
LogP2.97
Rot. Bonds5

About N-[[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide

N-[[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide (PubChem CID 47045169) has the molecular formula C19H15N5O2S and a molecular weight of 377.43 g/mol. Its IUPAC name is N-[[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide
PubChem CID47045169
Molecular FormulaC19H15N5O2S
Molecular Weight377.43 g/mol
Exact Mass377.09
IUPAC NameN-[[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide
SMILESO=C(Nc1nnc2ccccn12)c1ccc(CNC(=O)c2cccs2)cc1
InChIInChI=1S/C19H15N5O2S/c25-17(21-19-23-22-16-5-1-2-10-24(16)19)14-8-6-13(7-9-14)12-20-18(26)15-4-3-11-27-15/h1-11H,12H2,(H,20,26)(H,21,23,25)
InChIKeyNQXPJKSBTZLGIR-UHFFFAOYSA-N
XLogP2.97
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide with MolForge

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Related Compounds

N-benzylthiophene-2-carboxamide
CID 574227
N-[(4-pyrrol-1-ylphenyl)methyl]thiophene-2-carboxamide
CID 4919616
4-(acetamidomethyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 31282713
N-[[4-[(3,4-dimethoxyphenyl)methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55753151
N-[4-(benzylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 2979144
N-[[4-(thiophen-3-ylmethylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide
CID 55766242
N-[[4-[[4-(2-methylpropanoylamino)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 46485056
N-[[4-[[4-(difluoromethylsulfanyl)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55752421
N-[[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 87043723
N-[[4-[2-[(2-chlorobenzoyl)amino]ethylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55842432
N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)naphthalene-1-carboxamide
CID 47026097
N-[[4-[(3-chlorophenyl)methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55753115

Frequently Asked Questions

What is the IUPAC name of N-[[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-[[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide (CID 47045169) is N-[[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide is O=C(Nc1nnc2ccccn12)c1ccc(CNC(=O)c2cccs2)cc1.
What is the InChIKey of N-[[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide?
The InChIKey is NQXPJKSBTZLGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O2S/c25-17(21-19-23-22-16-5-1-2-10-24(16)19)14-8-6-13(7-9-14)12-20-18(26)15-4-3-11-27-15/h1-11H,12H2,(H,20,26)(H,21,23,25).
What are the key properties of N-[[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide?
N-[[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide has a molecular weight of 377.43 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 47045169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).