N-[3-[(3-nitrophenyl)carbamoyl]thiophen-2-yl]pyridine-3-carboxamide

C17H12N4O4S — CID 2971157

IUPACN-[3-[(3-nitrophenyl)carbamoyl]thiophen-2-yl]pyridine-3-carboxamide
SMILESO=C(Nc1sccc1C(=O)Nc1cccc([N+](=O)[O-])c1)c1cccnc1
InChIInChI=1S/C17H12N4O4S/c22-15(11-3-2-7-18-10-11)20-17-14(6-8-26-17)16(23)19-12-4-1-5-13(9-12)21(24)25/h1-10H,(H,19,23)(H,20,22)
InChIKeyQFGXOGFMNBFZNP-UHFFFAOYSA-N
MW368.37 g/mol
LogP3.56
Rot. Bonds5

About N-[3-[(3-nitrophenyl)carbamoyl]thiophen-2-yl]pyridine-3-carboxamide

N-[3-[(3-nitrophenyl)carbamoyl]thiophen-2-yl]pyridine-3-carboxamide (PubChem CID 2971157) has the molecular formula C17H12N4O4S and a molecular weight of 368.37 g/mol. Its IUPAC name is N-[3-[(3-nitrophenyl)carbamoyl]thiophen-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(3-nitrophenyl)carbamoyl]thiophen-2-yl]pyridine-3-carboxamide
PubChem CID2971157
Molecular FormulaC17H12N4O4S
Molecular Weight368.37 g/mol
Exact Mass368.06
IUPAC NameN-[3-[(3-nitrophenyl)carbamoyl]thiophen-2-yl]pyridine-3-carboxamide
SMILESO=C(Nc1sccc1C(=O)Nc1cccc([N+](=O)[O-])c1)c1cccnc1
InChIInChI=1S/C17H12N4O4S/c22-15(11-3-2-7-18-10-11)20-17-14(6-8-26-17)16(23)19-12-4-1-5-13(9-12)21(24)25/h1-10H,(H,19,23)(H,20,22)
InChIKeyQFGXOGFMNBFZNP-UHFFFAOYSA-N
XLogP3.56
TPSA114.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-[(2-chloro-4-nitrobenzoyl)amino]phenyl]pyridine-3-carboxamide
CID 39188695
5-[[3-[(3-nitrophenyl)carbamoyl]thiophen-2-yl]amino]-5-oxopentanoic acid
CID 17377617
N-[3-[(2-nitrobenzoyl)amino]phenyl]pyridine-3-carboxamide
CID 39679512
4-amino-N-(3-nitrophenyl)pyridine-3-carboxamide
CID 81235802
trans-(1S,2S)-2-[[3-[(3-nitrophenyl)carbamoyl]thiophen-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 27525315
cis-(1R,2S)-2-[[3-[(3-nitrophenyl)carbamoyl]thiophen-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 27525313
N-[3-[[2-(2-nitrophenyl)acetyl]amino]phenyl]pyridine-3-carboxamide
CID 39678604
N-(3-nitrophenyl)-4-thiophen-2-ylbenzamide
CID 4730837
2,3-difluoro-N-(3-nitrophenyl)pyridine-4-carboxamide
CID 105380312
N-[3-[2-(4-nitrophenyl)sulfanylpropanoylamino]phenyl]pyridine-3-carboxamide
CID 46424053
N-(3-pyridin-3-ylphenyl)pyridine-3-carboxamide
CID 110461666
4-nitro-2-(pyridine-3-carbonylamino)phenolate
CID 6946227

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-nitrophenyl)carbamoyl]thiophen-2-yl]pyridine-3-carboxamide?
The IUPAC name of N-[3-[(3-nitrophenyl)carbamoyl]thiophen-2-yl]pyridine-3-carboxamide (CID 2971157) is N-[3-[(3-nitrophenyl)carbamoyl]thiophen-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[(3-nitrophenyl)carbamoyl]thiophen-2-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[(3-nitrophenyl)carbamoyl]thiophen-2-yl]pyridine-3-carboxamide is O=C(Nc1sccc1C(=O)Nc1cccc([N+](=O)[O-])c1)c1cccnc1.
What is the InChIKey of N-[3-[(3-nitrophenyl)carbamoyl]thiophen-2-yl]pyridine-3-carboxamide?
The InChIKey is QFGXOGFMNBFZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O4S/c22-15(11-3-2-7-18-10-11)20-17-14(6-8-26-17)16(23)19-12-4-1-5-13(9-12)21(24)25/h1-10H,(H,19,23)(H,20,22).
What are the key properties of N-[3-[(3-nitrophenyl)carbamoyl]thiophen-2-yl]pyridine-3-carboxamide?
N-[3-[(3-nitrophenyl)carbamoyl]thiophen-2-yl]pyridine-3-carboxamide has a molecular weight of 368.37 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-nitrophenyl)carbamoyl]thiophen-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 2971157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).