N-[[4-(pyridine-3-carbonylhydrazinylidene)cyclohexylidene]amino]pyridine-3-carboxamide

C18H18N6O2 — CID 1097248

IUPACN-[[4-(pyridine-3-carbonylhydrazinylidene)cyclohexylidene]amino]pyridine-3-carboxamide
SMILESO=C(NN=C1CCC(=NNC(=O)c2cccnc2)CC1)c1cccnc1
InChIInChI=1S/C18H18N6O2/c25-17(13-3-1-9-19-11-13)23-21-15-5-7-16(8-6-15)22-24-18(26)14-4-2-10-20-12-14/h1-4,9-12H,5-8H2,(H,23,25)(H,24,26)/b21-15-,22-16+
InChIKeyPMYDHIFTCQGYJB-KBNZVFGVSA-N
MW350.38 g/mol
LogP1.92
Rot. Bonds4

About N-[[4-(pyridine-3-carbonylhydrazinylidene)cyclohexylidene]amino]pyridine-3-carboxamide

N-[[4-(pyridine-3-carbonylhydrazinylidene)cyclohexylidene]amino]pyridine-3-carboxamide (PubChem CID 1097248) has the molecular formula C18H18N6O2 and a molecular weight of 350.38 g/mol. Its IUPAC name is N-[[4-(pyridine-3-carbonylhydrazinylidene)cyclohexylidene]amino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(pyridine-3-carbonylhydrazinylidene)cyclohexylidene]amino]pyridine-3-carboxamide
PubChem CID1097248
Molecular FormulaC18H18N6O2
Molecular Weight350.38 g/mol
Exact Mass350.15
IUPAC NameN-[[4-(pyridine-3-carbonylhydrazinylidene)cyclohexylidene]amino]pyridine-3-carboxamide
SMILESO=C(NN=C1CCC(=NNC(=O)c2cccnc2)CC1)c1cccnc1
InChIInChI=1S/C18H18N6O2/c25-17(13-3-1-9-19-11-13)23-21-15-5-7-16(8-6-15)22-24-18(26)14-4-2-10-20-12-14/h1-4,9-12H,5-8H2,(H,23,25)(H,24,26)/b21-15-,22-16+
InChIKeyPMYDHIFTCQGYJB-KBNZVFGVSA-N
XLogP1.92
TPSA108.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(pyridine-3-carbonylhydrazinylidene)cyclohexylidene]amino]pyridine-3-carboxamide?
The IUPAC name of N-[[4-(pyridine-3-carbonylhydrazinylidene)cyclohexylidene]amino]pyridine-3-carboxamide (CID 1097248) is N-[[4-(pyridine-3-carbonylhydrazinylidene)cyclohexylidene]amino]pyridine-3-carboxamide.
What is the SMILES notation for N-[[4-(pyridine-3-carbonylhydrazinylidene)cyclohexylidene]amino]pyridine-3-carboxamide?
The canonical SMILES for N-[[4-(pyridine-3-carbonylhydrazinylidene)cyclohexylidene]amino]pyridine-3-carboxamide is O=C(NN=C1CCC(=NNC(=O)c2cccnc2)CC1)c1cccnc1.
What is the InChIKey of N-[[4-(pyridine-3-carbonylhydrazinylidene)cyclohexylidene]amino]pyridine-3-carboxamide?
The InChIKey is PMYDHIFTCQGYJB-KBNZVFGVSA-N. The full InChI is InChI=1S/C18H18N6O2/c25-17(13-3-1-9-19-11-13)23-21-15-5-7-16(8-6-15)22-24-18(26)14-4-2-10-20-12-14/h1-4,9-12H,5-8H2,(H,23,25)(H,24,26)/b21-15-,22-16+.
What are the key properties of N-[[4-(pyridine-3-carbonylhydrazinylidene)cyclohexylidene]amino]pyridine-3-carboxamide?
N-[[4-(pyridine-3-carbonylhydrazinylidene)cyclohexylidene]amino]pyridine-3-carboxamide has a molecular weight of 350.38 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(pyridine-3-carbonylhydrazinylidene)cyclohexylidene]amino]pyridine-3-carboxamide is sourced from PubChem (CID 1097248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).