N-[2-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]carbamoyl]thiophen-3-yl]pyridine-4-carboxamide

C23H26N4O2S — CID 60542617

IUPACN-[2-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]carbamoyl]thiophen-3-yl]pyridine-4-carboxamide
SMILESCCc1ccc(C(CNC(=O)c2sccc2NC(=O)c2ccncc2)N(C)C)cc1
InChIInChI=1S/C23H26N4O2S/c1-4-16-5-7-17(8-6-16)20(27(2)3)15-25-23(29)21-19(11-14-30-21)26-22(28)18-9-12-24-13-10-18/h5-14,20H,4,15H2,1-3H3,(H,25,29)(H,26,28)
InChIKeyBJAUKHCKMSAOTJ-UHFFFAOYSA-N
MW422.55 g/mol
LogP3.99
Rot. Bonds8

About N-[2-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]carbamoyl]thiophen-3-yl]pyridine-4-carboxamide

N-[2-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]carbamoyl]thiophen-3-yl]pyridine-4-carboxamide (PubChem CID 60542617) has the molecular formula C23H26N4O2S and a molecular weight of 422.55 g/mol. Its IUPAC name is N-[2-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]carbamoyl]thiophen-3-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]carbamoyl]thiophen-3-yl]pyridine-4-carboxamide
PubChem CID60542617
Molecular FormulaC23H26N4O2S
Molecular Weight422.55 g/mol
Exact Mass422.18
IUPAC NameN-[2-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]carbamoyl]thiophen-3-yl]pyridine-4-carboxamide
SMILESCCc1ccc(C(CNC(=O)c2sccc2NC(=O)c2ccncc2)N(C)C)cc1
InChIInChI=1S/C23H26N4O2S/c1-4-16-5-7-17(8-6-16)20(27(2)3)15-25-23(29)21-19(11-14-30-21)26-22(28)18-9-12-24-13-10-18/h5-14,20H,4,15H2,1-3H3,(H,25,29)(H,26,28)
InChIKeyBJAUKHCKMSAOTJ-UHFFFAOYSA-N
XLogP3.99
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(ethylcarbamoyl)thiophen-3-yl]pyridine-4-carboxamide
CID 47323861
N-[(2R)-2-(dimethylamino)-2-phenylethyl]pyridine-4-carboxamide
CID 32730765
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-ethylthiadiazole-5-carboxamide
CID 43045040
N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-ethylthiadiazole-5-carboxamide
CID 51864652
5-bromo-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]thiophene-3-carboxamide
CID 46578078
N-[2-[(3-amino-2,2-dimethylpropyl)-methylcarbamoyl]thiophen-3-yl]pyridine-4-carboxamide;dihydrochloride
CID 119656288
N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-sulfamoylthiophene-3-carboxamide
CID 95044301
N-[1-(4-ethylphenyl)ethyl]pyridine-4-carboxamide
CID 6466147
N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 34972442
N-[2-[[4-(furan-2-carbonylamino)phenyl]methylcarbamoyl]thiophen-3-yl]pyridine-4-carboxamide
CID 60541274
N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-methylpyrazine-2-carboxamide
CID 51922914
1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-pyridin-3-ylurea
CID 18101908

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]carbamoyl]thiophen-3-yl]pyridine-4-carboxamide?
The IUPAC name of N-[2-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]carbamoyl]thiophen-3-yl]pyridine-4-carboxamide (CID 60542617) is N-[2-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]carbamoyl]thiophen-3-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]carbamoyl]thiophen-3-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]carbamoyl]thiophen-3-yl]pyridine-4-carboxamide is CCc1ccc(C(CNC(=O)c2sccc2NC(=O)c2ccncc2)N(C)C)cc1.
What is the InChIKey of N-[2-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]carbamoyl]thiophen-3-yl]pyridine-4-carboxamide?
The InChIKey is BJAUKHCKMSAOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2S/c1-4-16-5-7-17(8-6-16)20(27(2)3)15-25-23(29)21-19(11-14-30-21)26-22(28)18-9-12-24-13-10-18/h5-14,20H,4,15H2,1-3H3,(H,25,29)(H,26,28).
What are the key properties of N-[2-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]carbamoyl]thiophen-3-yl]pyridine-4-carboxamide?
N-[2-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]carbamoyl]thiophen-3-yl]pyridine-4-carboxamide has a molecular weight of 422.55 g/mol, XLogP of 3.99, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]carbamoyl]thiophen-3-yl]pyridine-4-carboxamide is sourced from PubChem (CID 60542617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).