N-[4-[(pyridine-3-carbonylamino)carbamoyl]phenyl]thiophene-2-carboxamide

C18H14N4O3S — CID 9324552

IUPACN-[4-[(pyridine-3-carbonylamino)carbamoyl]phenyl]thiophene-2-carboxamide
SMILESO=C(NNC(=O)c1cccnc1)c1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C18H14N4O3S/c23-16(21-22-17(24)13-3-1-9-19-11-13)12-5-7-14(8-6-12)20-18(25)15-4-2-10-26-15/h1-11H,(H,20,25)(H,21,23)(H,22,24)
InChIKeyWESQSNWTKKSHEU-UHFFFAOYSA-N
MW366.40 g/mol
LogP2.47
Rot. Bonds4

About N-[4-[(pyridine-3-carbonylamino)carbamoyl]phenyl]thiophene-2-carboxamide

N-[4-[(pyridine-3-carbonylamino)carbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 9324552) has the molecular formula C18H14N4O3S and a molecular weight of 366.40 g/mol. Its IUPAC name is N-[4-[(pyridine-3-carbonylamino)carbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(pyridine-3-carbonylamino)carbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID9324552
Molecular FormulaC18H14N4O3S
Molecular Weight366.40 g/mol
Exact Mass366.08
IUPAC NameN-[4-[(pyridine-3-carbonylamino)carbamoyl]phenyl]thiophene-2-carboxamide
SMILESO=C(NNC(=O)c1cccnc1)c1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C18H14N4O3S/c23-16(21-22-17(24)13-3-1-9-19-11-13)12-5-7-14(8-6-12)20-18(25)15-4-2-10-26-15/h1-11H,(H,20,25)(H,21,23)(H,22,24)
InChIKeyWESQSNWTKKSHEU-UHFFFAOYSA-N
XLogP2.47
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(thiophene-2-carbonylamino)carbamoyl]phenyl]thiophene-2-carboxamide
CID 1117998
N-[4-[(thiophene-2-carbonylamino)carbamoyl]phenyl]acetamide
CID 809220
N'-(4-iodobenzoyl)pyridine-3-carbohydrazide
CID 19166393
N-(4-acetylphenyl)thiophene-2-carboxamide
CID 573780
N-[3-[(thiophene-2-carbonylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926382
N-[4-[4-(thiophene-2-carbonylamino)anilino]phenyl]thiophene-2-carboxamide
CID 67687159
N-[6-(thiophene-2-carbonylamino)-3-pyridinyl]pyridine-4-carboxamide
CID 1449478
N-(4-acetamidophenyl)pyridine-3-carboxamide
CID 766053
N-[4-[(4-pyrimidin-2-yloxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 55833588
[4-(thiophene-2-carbonylamino)phenyl] 3-pyridin-3-ylpropanoate
CID 36666034
2-[[4-(thiophene-2-carbonylamino)benzoyl]amino]acetic acid
CID 2731835
N-[4-[[4-(2-methylpropanoylamino)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 42122098

Frequently Asked Questions

What is the IUPAC name of N-[4-[(pyridine-3-carbonylamino)carbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[(pyridine-3-carbonylamino)carbamoyl]phenyl]thiophene-2-carboxamide (CID 9324552) is N-[4-[(pyridine-3-carbonylamino)carbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[(pyridine-3-carbonylamino)carbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[(pyridine-3-carbonylamino)carbamoyl]phenyl]thiophene-2-carboxamide is O=C(NNC(=O)c1cccnc1)c1ccc(NC(=O)c2cccs2)cc1.
What is the InChIKey of N-[4-[(pyridine-3-carbonylamino)carbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is WESQSNWTKKSHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O3S/c23-16(21-22-17(24)13-3-1-9-19-11-13)12-5-7-14(8-6-12)20-18(25)15-4-2-10-26-15/h1-11H,(H,20,25)(H,21,23)(H,22,24).
What are the key properties of N-[4-[(pyridine-3-carbonylamino)carbamoyl]phenyl]thiophene-2-carboxamide?
N-[4-[(pyridine-3-carbonylamino)carbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 366.40 g/mol, XLogP of 2.47, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(pyridine-3-carbonylamino)carbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 9324552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).