N-(3-carbamoylthiophen-2-yl)-2,5-dichloropyridine-4-carboxamide

C11H7Cl2N3O2S — CID 114917686

IUPACN-(3-carbamoylthiophen-2-yl)-2,5-dichloropyridine-4-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)c1cc(Cl)ncc1Cl
InChIInChI=1S/C11H7Cl2N3O2S/c12-7-4-15-8(13)3-6(7)10(18)16-11-5(9(14)17)1-2-19-11/h1-4H,(H2,14,17)(H,16,18)
InChIKeyIJOXSXKEKNPCCF-UHFFFAOYSA-N
MW316.17 g/mol
LogP2.80
Rot. Bonds3

About N-(3-carbamoylthiophen-2-yl)-2,5-dichloropyridine-4-carboxamide

N-(3-carbamoylthiophen-2-yl)-2,5-dichloropyridine-4-carboxamide (PubChem CID 114917686) has the molecular formula C11H7Cl2N3O2S and a molecular weight of 316.17 g/mol. Its IUPAC name is N-(3-carbamoylthiophen-2-yl)-2,5-dichloropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoylthiophen-2-yl)-2,5-dichloropyridine-4-carboxamide
PubChem CID114917686
Molecular FormulaC11H7Cl2N3O2S
Molecular Weight316.17 g/mol
Exact Mass314.96
IUPAC NameN-(3-carbamoylthiophen-2-yl)-2,5-dichloropyridine-4-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)c1cc(Cl)ncc1Cl
InChIInChI=1S/C11H7Cl2N3O2S/c12-7-4-15-8(13)3-6(7)10(18)16-11-5(9(14)17)1-2-19-11/h1-4H,(H2,14,17)(H,16,18)
InChIKeyIJOXSXKEKNPCCF-UHFFFAOYSA-N
XLogP2.80
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.17
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[(2,3-dichlorobenzoyl)amino]thiophene-3-carboxamide
CID 2117879
N-[4-(carbamoylamino)phenyl]-2,5-dichloropyridine-4-carboxamide
CID 114917802
N-[3-(carbamoylamino)phenyl]-2,5-dichloropyridine-4-carboxamide
CID 114917801
2-[(2-amino-4-bromobenzoyl)amino]thiophene-3-carboxamide
CID 79721900
2,5-dichloro-N-(4,6-dichloropyrimidin-5-yl)pyridine-4-carboxamide
CID 114074081
2-(4-chlorobutanoylamino)thiophene-3-carboxamide
CID 63309353
2,5-dichloro-N-(3-chloro-2-pyridinyl)pyridine-4-carboxamide
CID 102610397
2,5-dichloro-N-(1H-1,2,4-triazol-5-yl)pyridine-4-carboxamide
CID 104986154
2-chloro-5-[(2,5-dichloropyridine-4-carbonyl)amino]benzoic acid
CID 114917869
2-[[2-(methylamino)benzoyl]amino]thiophene-3-carboxamide
CID 61377118
2-[(2-bromo-5-methylbenzoyl)amino]thiophene-3-carboxamide
CID 81003369
3-amino-N-(3-carbamoylthiophen-2-yl)pyridine-2-carboxamide
CID 104742045

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoylthiophen-2-yl)-2,5-dichloropyridine-4-carboxamide?
The IUPAC name of N-(3-carbamoylthiophen-2-yl)-2,5-dichloropyridine-4-carboxamide (CID 114917686) is N-(3-carbamoylthiophen-2-yl)-2,5-dichloropyridine-4-carboxamide.
What is the SMILES notation for N-(3-carbamoylthiophen-2-yl)-2,5-dichloropyridine-4-carboxamide?
The canonical SMILES for N-(3-carbamoylthiophen-2-yl)-2,5-dichloropyridine-4-carboxamide is NC(=O)c1ccsc1NC(=O)c1cc(Cl)ncc1Cl.
What is the InChIKey of N-(3-carbamoylthiophen-2-yl)-2,5-dichloropyridine-4-carboxamide?
The InChIKey is IJOXSXKEKNPCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2N3O2S/c12-7-4-15-8(13)3-6(7)10(18)16-11-5(9(14)17)1-2-19-11/h1-4H,(H2,14,17)(H,16,18).
What are the key properties of N-(3-carbamoylthiophen-2-yl)-2,5-dichloropyridine-4-carboxamide?
N-(3-carbamoylthiophen-2-yl)-2,5-dichloropyridine-4-carboxamide has a molecular weight of 316.17 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoylthiophen-2-yl)-2,5-dichloropyridine-4-carboxamide is sourced from PubChem (CID 114917686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).