N-[[3-[(2-cyclohexylideneacetyl)amino]phenyl]methyl]pyridine-3-carboxamide

C21H23N3O2 — CID 108926549

IUPACN-[[3-[(2-cyclohexylideneacetyl)amino]phenyl]methyl]pyridine-3-carboxamide
SMILESO=C(C=C1CCCCC1)Nc1cccc(CNC(=O)c2cccnc2)c1
InChIInChI=1S/C21H23N3O2/c25-20(13-16-6-2-1-3-7-16)24-19-10-4-8-17(12-19)14-23-21(26)18-9-5-11-22-15-18/h4-5,8-13,15H,1-3,6-7,14H2,(H,23,26)(H,24,25)
InChIKeyXUPXZECOHJGAMM-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.84
Rot. Bonds5

About N-[[3-[(2-cyclohexylideneacetyl)amino]phenyl]methyl]pyridine-3-carboxamide

N-[[3-[(2-cyclohexylideneacetyl)amino]phenyl]methyl]pyridine-3-carboxamide (PubChem CID 108926549) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[[3-[(2-cyclohexylideneacetyl)amino]phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[3-[(2-cyclohexylideneacetyl)amino]phenyl]methyl]pyridine-3-carboxamide
PubChem CID108926549
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-[[3-[(2-cyclohexylideneacetyl)amino]phenyl]methyl]pyridine-3-carboxamide
SMILESO=C(C=C1CCCCC1)Nc1cccc(CNC(=O)c2cccnc2)c1
InChIInChI=1S/C21H23N3O2/c25-20(13-16-6-2-1-3-7-16)24-19-10-4-8-17(12-19)14-23-21(26)18-9-5-11-22-15-18/h4-5,8-13,15H,1-3,6-7,14H2,(H,23,26)(H,24,25)
InChIKeyXUPXZECOHJGAMM-UHFFFAOYSA-N
XLogP3.84
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[3-[(pyridine-4-carbonylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926411
N-[[3-[[(E)-3-methylpent-2-enoyl]amino]phenyl]methyl]pyridine-3-carboxamide
CID 108926559
N-[[3-(propanoylamino)phenyl]methyl]pyridine-3-carboxamide
CID 108926394
N-[[3-(3-cyclohexylpropanoylamino)phenyl]methyl]pyridine-3-carboxamide
CID 108926378
N-[3-[(cyclohexanecarbonylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926249
N-[3-[[(4-tert-butylbenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926353
2-cyano-N-[[3-[(2-cyclopentylideneacetyl)amino]phenyl]methyl]acetamide
CID 108924222
N-[[3-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]amino]phenyl]methyl]pyridine-3-carboxamide
CID 108926513
N-[[3-[(2-cyclopentylideneacetyl)amino]phenyl]methyl]-2,2,2-trifluoroacetamide
CID 108934742
N-[3-[[(2-phenylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926276
[4-[[3-[(2-cyclopentylideneacetyl)amino]phenyl]methylcarbamoyl]phenyl] ethyl carbonate
CID 108932233
N-[[3-[(2,3,4-trifluorobenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108926408

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2-cyclohexylideneacetyl)amino]phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-[[3-[(2-cyclohexylideneacetyl)amino]phenyl]methyl]pyridine-3-carboxamide (CID 108926549) is N-[[3-[(2-cyclohexylideneacetyl)amino]phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[[3-[(2-cyclohexylideneacetyl)amino]phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[[3-[(2-cyclohexylideneacetyl)amino]phenyl]methyl]pyridine-3-carboxamide is O=C(C=C1CCCCC1)Nc1cccc(CNC(=O)c2cccnc2)c1.
What is the InChIKey of N-[[3-[(2-cyclohexylideneacetyl)amino]phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is XUPXZECOHJGAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c25-20(13-16-6-2-1-3-7-16)24-19-10-4-8-17(12-19)14-23-21(26)18-9-5-11-22-15-18/h4-5,8-13,15H,1-3,6-7,14H2,(H,23,26)(H,24,25).
What are the key properties of N-[[3-[(2-cyclohexylideneacetyl)amino]phenyl]methyl]pyridine-3-carboxamide?
N-[[3-[(2-cyclohexylideneacetyl)amino]phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2-cyclohexylideneacetyl)amino]phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 108926549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).