N-[[3-(pyridine-2-carbonylamino)phenyl]methyl]thiadiazole-4-carboxamide

C16H13N5O2S — CID 166190967

IUPACN-[[3-(pyridine-2-carbonylamino)phenyl]methyl]thiadiazole-4-carboxamide
SMILESO=C(NCc1cccc(NC(=O)c2ccccn2)c1)c1csnn1
InChIInChI=1S/C16H13N5O2S/c22-15(14-10-24-21-20-14)18-9-11-4-3-5-12(8-11)19-16(23)13-6-1-2-7-17-13/h1-8,10H,9H2,(H,18,22)(H,19,23)
InChIKeyFGYHWZVVGWWGMY-UHFFFAOYSA-N
MW339.38 g/mol
LogP2.12
Rot. Bonds5

About N-[[3-(pyridine-2-carbonylamino)phenyl]methyl]thiadiazole-4-carboxamide

N-[[3-(pyridine-2-carbonylamino)phenyl]methyl]thiadiazole-4-carboxamide (PubChem CID 166190967) has the molecular formula C16H13N5O2S and a molecular weight of 339.38 g/mol. Its IUPAC name is N-[[3-(pyridine-2-carbonylamino)phenyl]methyl]thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[[3-(pyridine-2-carbonylamino)phenyl]methyl]thiadiazole-4-carboxamide
PubChem CID166190967
Molecular FormulaC16H13N5O2S
Molecular Weight339.38 g/mol
Exact Mass339.08
IUPAC NameN-[[3-(pyridine-2-carbonylamino)phenyl]methyl]thiadiazole-4-carboxamide
SMILESO=C(NCc1cccc(NC(=O)c2ccccn2)c1)c1csnn1
InChIInChI=1S/C16H13N5O2S/c22-15(14-10-24-21-20-14)18-9-11-4-3-5-12(8-11)19-16(23)13-6-1-2-7-17-13/h1-8,10H,9H2,(H,18,22)(H,19,23)
InChIKeyFGYHWZVVGWWGMY-UHFFFAOYSA-N
XLogP2.12
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-acetamidophenyl)methyl]pyridine-2-carboxamide
CID 46477958
N-[3-[[(5-methyl-1H-pyrazole-3-carbonyl)amino]methyl]phenyl]pyridine-2-carboxamide
CID 167888632
N-[3-[[(2,4,5-trimethylfuran-3-carbonyl)amino]methyl]phenyl]pyridine-2-carboxamide
CID 47067341
N-[[3-(dimethylcarbamoyl)phenyl]methyl]pyridine-2-carboxamide
CID 46415352
N-[(4-carbamoylphenyl)methyl]pyridine-2-carboxamide
CID 108743925
N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]pyridine-2-carboxamide
CID 55636536
N-[3-(benzamidomethyl)phenyl]pyridine-4-carboxamide
CID 166187411
4-[(thiadiazole-4-carbonylamino)methyl]benzoic acid
CID 62033869
5-methyl-1-[[3-(pyridine-2-carbonylamino)phenyl]methylcarbamoyl]piperidine-3-carboxylic acid
CID 122122353
N-[[3-[(2-cyanoacetyl)amino]phenyl]methyl]pyrazine-2-carboxamide
CID 108924075
N-[(5-bromothiophen-3-yl)methyl]thiadiazole-4-carboxamide
CID 47329110
N-[4-[[3-(piperidin-1-ylmethyl)phenyl]carbamoyl]phenyl]pyridine-2-carboxamide
CID 71893305

Frequently Asked Questions

What is the IUPAC name of N-[[3-(pyridine-2-carbonylamino)phenyl]methyl]thiadiazole-4-carboxamide?
The IUPAC name of N-[[3-(pyridine-2-carbonylamino)phenyl]methyl]thiadiazole-4-carboxamide (CID 166190967) is N-[[3-(pyridine-2-carbonylamino)phenyl]methyl]thiadiazole-4-carboxamide.
What is the SMILES notation for N-[[3-(pyridine-2-carbonylamino)phenyl]methyl]thiadiazole-4-carboxamide?
The canonical SMILES for N-[[3-(pyridine-2-carbonylamino)phenyl]methyl]thiadiazole-4-carboxamide is O=C(NCc1cccc(NC(=O)c2ccccn2)c1)c1csnn1.
What is the InChIKey of N-[[3-(pyridine-2-carbonylamino)phenyl]methyl]thiadiazole-4-carboxamide?
The InChIKey is FGYHWZVVGWWGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O2S/c22-15(14-10-24-21-20-14)18-9-11-4-3-5-12(8-11)19-16(23)13-6-1-2-7-17-13/h1-8,10H,9H2,(H,18,22)(H,19,23).
What are the key properties of N-[[3-(pyridine-2-carbonylamino)phenyl]methyl]thiadiazole-4-carboxamide?
N-[[3-(pyridine-2-carbonylamino)phenyl]methyl]thiadiazole-4-carboxamide has a molecular weight of 339.38 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(pyridine-2-carbonylamino)phenyl]methyl]thiadiazole-4-carboxamide is sourced from PubChem (CID 166190967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).