N-[5-[(3,4-dimethoxyphenyl)methylamino]-2-pyridinyl]thiophene-2-carboxamide

C19H19N3O3S — CID 113029060

IUPACN-[5-[(3,4-dimethoxyphenyl)methylamino]-2-pyridinyl]thiophene-2-carboxamide
SMILESCOc1ccc(CNc2ccc(NC(=O)c3cccs3)nc2)cc1OC
InChIInChI=1S/C19H19N3O3S/c1-24-15-7-5-13(10-16(15)25-2)11-20-14-6-8-18(21-12-14)22-19(23)17-4-3-9-26-17/h3-10,12,20H,11H2,1-2H3,(H,21,22,23)
InChIKeyQMTBFYCDSFCEQY-UHFFFAOYSA-N
MW369.45 g/mol
LogP4.02
Rot. Bonds7

About N-[5-[(3,4-dimethoxyphenyl)methylamino]-2-pyridinyl]thiophene-2-carboxamide

N-[5-[(3,4-dimethoxyphenyl)methylamino]-2-pyridinyl]thiophene-2-carboxamide (PubChem CID 113029060) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is N-[5-[(3,4-dimethoxyphenyl)methylamino]-2-pyridinyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(3,4-dimethoxyphenyl)methylamino]-2-pyridinyl]thiophene-2-carboxamide
PubChem CID113029060
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC NameN-[5-[(3,4-dimethoxyphenyl)methylamino]-2-pyridinyl]thiophene-2-carboxamide
SMILESCOc1ccc(CNc2ccc(NC(=O)c3cccs3)nc2)cc1OC
InChIInChI=1S/C19H19N3O3S/c1-24-15-7-5-13(10-16(15)25-2)11-20-14-6-8-18(21-12-14)22-19(23)17-4-3-9-26-17/h3-10,12,20H,11H2,1-2H3,(H,21,22,23)
InChIKeyQMTBFYCDSFCEQY-UHFFFAOYSA-N
XLogP4.02
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]thiophene-2-carboxamide
CID 113027751
2-(3,4-dimethoxyphenyl)-N-[5-[(3-methylphenyl)methylamino]-2-pyridinyl]acetamide
CID 113026619
3,4-dimethoxy-N-[5-[(3-methylphenyl)methylamino]-2-pyridinyl]benzamide
CID 113026605
N-[6-[(3,4-dimethoxyphenyl)methylamino]-3-pyridinyl]-2,2-dimethylpropanamide
CID 113013990
N-[6-(3-chloro-4-methoxyanilino)pyridazin-3-yl]thiophene-2-carboxamide
CID 113047904
N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]thiophene-2-carboxamide
CID 113027177
N-[5-(furan-2-ylmethylamino)-2-pyridinyl]thiophene-2-carboxamide
CID 113026241
N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]thiophene-2-carboxamide
CID 113026990
N-[2-[(3,4-dimethoxyphenyl)methylamino]ethyl]thiophene-2-carboxamide
CID 3156849
N-[[4-[(3,4-dimethoxyphenyl)methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55753151
N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide
CID 51999279
ethyl N-[6-[(3,4-dimethoxyphenyl)methylamino]-3-pyridinyl]carbamate
CID 113014023

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3,4-dimethoxyphenyl)methylamino]-2-pyridinyl]thiophene-2-carboxamide?
The IUPAC name of N-[5-[(3,4-dimethoxyphenyl)methylamino]-2-pyridinyl]thiophene-2-carboxamide (CID 113029060) is N-[5-[(3,4-dimethoxyphenyl)methylamino]-2-pyridinyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[5-[(3,4-dimethoxyphenyl)methylamino]-2-pyridinyl]thiophene-2-carboxamide?
The canonical SMILES for N-[5-[(3,4-dimethoxyphenyl)methylamino]-2-pyridinyl]thiophene-2-carboxamide is COc1ccc(CNc2ccc(NC(=O)c3cccs3)nc2)cc1OC.
What is the InChIKey of N-[5-[(3,4-dimethoxyphenyl)methylamino]-2-pyridinyl]thiophene-2-carboxamide?
The InChIKey is QMTBFYCDSFCEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-24-15-7-5-13(10-16(15)25-2)11-20-14-6-8-18(21-12-14)22-19(23)17-4-3-9-26-17/h3-10,12,20H,11H2,1-2H3,(H,21,22,23).
What are the key properties of N-[5-[(3,4-dimethoxyphenyl)methylamino]-2-pyridinyl]thiophene-2-carboxamide?
N-[5-[(3,4-dimethoxyphenyl)methylamino]-2-pyridinyl]thiophene-2-carboxamide has a molecular weight of 369.45 g/mol, XLogP of 4.02, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3,4-dimethoxyphenyl)methylamino]-2-pyridinyl]thiophene-2-carboxamide is sourced from PubChem (CID 113029060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).