N-[2-(ethylcarbamoyl)thiophen-3-yl]pyridine-4-carboxamide

C13H13N3O2S — CID 47323861

IUPACN-[2-(ethylcarbamoyl)thiophen-3-yl]pyridine-4-carboxamide
SMILESCCNC(=O)c1sccc1NC(=O)c1ccncc1
InChIInChI=1S/C13H13N3O2S/c1-2-15-13(18)11-10(5-8-19-11)16-12(17)9-3-6-14-7-4-9/h3-8H,2H2,1H3,(H,15,18)(H,16,17)
InChIKeyRHKWTFISRCAMDU-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.15
Rot. Bonds4

About N-[2-(ethylcarbamoyl)thiophen-3-yl]pyridine-4-carboxamide

N-[2-(ethylcarbamoyl)thiophen-3-yl]pyridine-4-carboxamide (PubChem CID 47323861) has the molecular formula C13H13N3O2S and a molecular weight of 275.33 g/mol. Its IUPAC name is N-[2-(ethylcarbamoyl)thiophen-3-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(ethylcarbamoyl)thiophen-3-yl]pyridine-4-carboxamide
PubChem CID47323861
Molecular FormulaC13H13N3O2S
Molecular Weight275.33 g/mol
Exact Mass275.07
IUPAC NameN-[2-(ethylcarbamoyl)thiophen-3-yl]pyridine-4-carboxamide
SMILESCCNC(=O)c1sccc1NC(=O)c1ccncc1
InChIInChI=1S/C13H13N3O2S/c1-2-15-13(18)11-10(5-8-19-11)16-12(17)9-3-6-14-7-4-9/h3-8H,2H2,1H3,(H,15,18)(H,16,17)
InChIKeyRHKWTFISRCAMDU-UHFFFAOYSA-N
XLogP2.15
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]carbamoyl]thiophen-3-yl]pyridine-4-carboxamide
CID 60542617
N-[2-[(4-hydroxypyrrolidin-3-yl)methylcarbamoyl]thiophen-3-yl]pyridine-4-carboxamide
CID 120945879
N-[2-[(3-amino-2,2-dimethylpropyl)-methylcarbamoyl]thiophen-3-yl]pyridine-4-carboxamide;dihydrochloride
CID 119656288
N-[2-[[4-(furan-2-carbonylamino)phenyl]methylcarbamoyl]thiophen-3-yl]pyridine-4-carboxamide
CID 60541274
N-[2-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methylcarbamoyl]thiophen-3-yl]pyridine-4-carboxamide
CID 60556218
N-[2-[(2-methylpiperidin-4-yl)carbamoyl]thiophen-3-yl]pyridine-4-carboxamide
CID 120598578
N-[2-[[(1S)-1-[(2S)-oxolan-2-yl]ethyl]carbamoyl]thiophen-3-yl]pyridine-4-carboxamide
CID 95160272
N-[2-[(3-methylpiperidin-4-yl)carbamoyl]thiophen-3-yl]pyridine-4-carboxamide;dihydrochloride
CID 120555354
N-[2-(pyridin-4-ylmethylcarbamoyl)thiophen-3-yl]pyrazine-2-carboxamide
CID 53335949
N-[2-[(3R)-3-aminopyrrolidine-1-carbonyl]thiophen-3-yl]pyridine-4-carboxamide
CID 119412807
3-[(4-methylsulfanylbenzoyl)amino]thiophene-2-carboxylic acid
CID 43358110
N'-(3-methylthiophene-2-carbonyl)pyridine-4-carbohydrazide
CID 7677905

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylcarbamoyl)thiophen-3-yl]pyridine-4-carboxamide?
The IUPAC name of N-[2-(ethylcarbamoyl)thiophen-3-yl]pyridine-4-carboxamide (CID 47323861) is N-[2-(ethylcarbamoyl)thiophen-3-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(ethylcarbamoyl)thiophen-3-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-(ethylcarbamoyl)thiophen-3-yl]pyridine-4-carboxamide is CCNC(=O)c1sccc1NC(=O)c1ccncc1.
What is the InChIKey of N-[2-(ethylcarbamoyl)thiophen-3-yl]pyridine-4-carboxamide?
The InChIKey is RHKWTFISRCAMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S/c1-2-15-13(18)11-10(5-8-19-11)16-12(17)9-3-6-14-7-4-9/h3-8H,2H2,1H3,(H,15,18)(H,16,17).
What are the key properties of N-[2-(ethylcarbamoyl)thiophen-3-yl]pyridine-4-carboxamide?
N-[2-(ethylcarbamoyl)thiophen-3-yl]pyridine-4-carboxamide has a molecular weight of 275.33 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylcarbamoyl)thiophen-3-yl]pyridine-4-carboxamide is sourced from PubChem (CID 47323861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).