N-[(pyridine-4-carbonylamino)carbamothioyl]cyclohexanecarboxamide

C14H18N4O2S — CID 4507490

IUPACN-[(pyridine-4-carbonylamino)carbamothioyl]cyclohexanecarboxamide
SMILESO=C(NNC(=S)NC(=O)C1CCCCC1)c1ccncc1
InChIInChI=1S/C14H18N4O2S/c19-12(10-4-2-1-3-5-10)16-14(21)18-17-13(20)11-6-8-15-9-7-11/h6-10H,1-5H2,(H,17,20)(H2,16,18,19,21)
InChIKeyWUIDGINMTVTLKW-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.30
Rot. Bonds2

About N-[(pyridine-4-carbonylamino)carbamothioyl]cyclohexanecarboxamide

N-[(pyridine-4-carbonylamino)carbamothioyl]cyclohexanecarboxamide (PubChem CID 4507490) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-[(pyridine-4-carbonylamino)carbamothioyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(pyridine-4-carbonylamino)carbamothioyl]cyclohexanecarboxamide
PubChem CID4507490
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC NameN-[(pyridine-4-carbonylamino)carbamothioyl]cyclohexanecarboxamide
SMILESO=C(NNC(=S)NC(=O)C1CCCCC1)c1ccncc1
InChIInChI=1S/C14H18N4O2S/c19-12(10-4-2-1-3-5-10)16-14(21)18-17-13(20)11-6-8-15-9-7-11/h6-10H,1-5H2,(H,17,20)(H2,16,18,19,21)
InChIKeyWUIDGINMTVTLKW-UHFFFAOYSA-N
XLogP1.30
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(cyclohexanecarbonyl)pyridine-4-carbohydrazide
CID 782647
N-[[[4-(propanoylamino)benzoyl]amino]carbamothioyl]cyclohexanecarboxamide
CID 4507491
N-[(thiophene-2-carbonylamino)carbamothioyl]cyclohexanecarboxamide
CID 4507493
N-[[(3-bromo-4-methoxybenzoyl)amino]carbamothioyl]cyclohexanecarboxamide
CID 4507762
N'-(azepane-1-carbothioyl)pyridine-4-carbohydrazide
CID 1280738
2,2,2-trichloro-N-[(pyridine-4-carbonylamino)carbamothioyl]acetamide
CID 3291335
2-chloro-N-[(pyridine-4-carbonylamino)carbamothioyl]benzamide
CID 3534444
N-[[(2-aminobenzoyl)amino]carbamothioyl]cyclopentanecarboxamide
CID 136575719
N-[4-[(2-methylpropanoylcarbamothioylamino)carbamoyl]phenyl]cyclohexanecarboxamide
CID 4924002
methyl 4-[[[4-(cyclohexanecarbonylamino)benzoyl]amino]carbamothioylcarbamoyl]benzoate
CID 17178727
N-cyclohexylpyridine-4-carboxamide
CID 3436730
N-[4-[(3-cyclohexylpropanoylcarbamothioylamino)carbamoyl]phenyl]cyclopropanecarboxamide
CID 4934825

Frequently Asked Questions

What is the IUPAC name of N-[(pyridine-4-carbonylamino)carbamothioyl]cyclohexanecarboxamide?
The IUPAC name of N-[(pyridine-4-carbonylamino)carbamothioyl]cyclohexanecarboxamide (CID 4507490) is N-[(pyridine-4-carbonylamino)carbamothioyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(pyridine-4-carbonylamino)carbamothioyl]cyclohexanecarboxamide?
The canonical SMILES for N-[(pyridine-4-carbonylamino)carbamothioyl]cyclohexanecarboxamide is O=C(NNC(=S)NC(=O)C1CCCCC1)c1ccncc1.
What is the InChIKey of N-[(pyridine-4-carbonylamino)carbamothioyl]cyclohexanecarboxamide?
The InChIKey is WUIDGINMTVTLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c19-12(10-4-2-1-3-5-10)16-14(21)18-17-13(20)11-6-8-15-9-7-11/h6-10H,1-5H2,(H,17,20)(H2,16,18,19,21).
What are the key properties of N-[(pyridine-4-carbonylamino)carbamothioyl]cyclohexanecarboxamide?
N-[(pyridine-4-carbonylamino)carbamothioyl]cyclohexanecarboxamide has a molecular weight of 306.39 g/mol, XLogP of 1.30, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(pyridine-4-carbonylamino)carbamothioyl]cyclohexanecarboxamide is sourced from PubChem (CID 4507490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).