N-[6-(3-methoxyanilino)-3-pyridinyl]thiophene-2-carboxamide

C17H15N3O2S — CID 113019386

IUPACN-[6-(3-methoxyanilino)-3-pyridinyl]thiophene-2-carboxamide
SMILESCOc1cccc(Nc2ccc(NC(=O)c3cccs3)cn2)c1
InChIInChI=1S/C17H15N3O2S/c1-22-14-5-2-4-12(10-14)19-16-8-7-13(11-18-16)20-17(21)15-6-3-9-23-15/h2-11H,1H3,(H,18,19)(H,20,21)
InChIKeyCHYFAAZWESMKCN-UHFFFAOYSA-N
MW325.39 g/mol
LogP4.15
Rot. Bonds5

About N-[6-(3-methoxyanilino)-3-pyridinyl]thiophene-2-carboxamide

N-[6-(3-methoxyanilino)-3-pyridinyl]thiophene-2-carboxamide (PubChem CID 113019386) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is N-[6-(3-methoxyanilino)-3-pyridinyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[6-(3-methoxyanilino)-3-pyridinyl]thiophene-2-carboxamide
PubChem CID113019386
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC NameN-[6-(3-methoxyanilino)-3-pyridinyl]thiophene-2-carboxamide
SMILESCOc1cccc(Nc2ccc(NC(=O)c3cccs3)cn2)c1
InChIInChI=1S/C17H15N3O2S/c1-22-14-5-2-4-12(10-14)19-16-8-7-13(11-18-16)20-17(21)15-6-3-9-23-15/h2-11H,1H3,(H,18,19)(H,20,21)
InChIKeyCHYFAAZWESMKCN-UHFFFAOYSA-N
XLogP4.15
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(3-methoxyanilino)pyridazin-3-yl]thiophene-2-carboxamide
CID 113048189
N-[6-(3-chloroanilino)-3-pyridinyl]thiophene-2-carboxamide
CID 113018501
N-[6-(3-methoxyanilino)-3-pyridinyl]propanamide
CID 113019375
3-bromo-N-[6-(3-methoxyanilino)-3-pyridinyl]benzamide
CID 113019395
N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 24658002
N-[5-(3-methylanilino)-2-pyridinyl]thiophene-2-carboxamide
CID 113031418
N-[6-[4-(trifluoromethyl)anilino]-3-pyridinyl]thiophene-2-carboxamide
CID 113020253
N-[6-(3-methoxyanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113019463
N-[6-(2-methylanilino)-3-pyridinyl]thiophene-2-carboxamide
CID 113016087
6-(3,4-dimethoxyanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109163977
N-[6-(3-methoxyanilino)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113019421
6-(3-bromoanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109163992

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-methoxyanilino)-3-pyridinyl]thiophene-2-carboxamide?
The IUPAC name of N-[6-(3-methoxyanilino)-3-pyridinyl]thiophene-2-carboxamide (CID 113019386) is N-[6-(3-methoxyanilino)-3-pyridinyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[6-(3-methoxyanilino)-3-pyridinyl]thiophene-2-carboxamide?
The canonical SMILES for N-[6-(3-methoxyanilino)-3-pyridinyl]thiophene-2-carboxamide is COc1cccc(Nc2ccc(NC(=O)c3cccs3)cn2)c1.
What is the InChIKey of N-[6-(3-methoxyanilino)-3-pyridinyl]thiophene-2-carboxamide?
The InChIKey is CHYFAAZWESMKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S/c1-22-14-5-2-4-12(10-14)19-16-8-7-13(11-18-16)20-17(21)15-6-3-9-23-15/h2-11H,1H3,(H,18,19)(H,20,21).
What are the key properties of N-[6-(3-methoxyanilino)-3-pyridinyl]thiophene-2-carboxamide?
N-[6-(3-methoxyanilino)-3-pyridinyl]thiophene-2-carboxamide has a molecular weight of 325.39 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-methoxyanilino)-3-pyridinyl]thiophene-2-carboxamide is sourced from PubChem (CID 113019386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).