N-(cyclohex-3-en-1-ylmethylideneamino)pyridine-3-carboxamide

C13H15N3O — CID 2847162

IUPACN-(cyclohex-3-en-1-ylmethylideneamino)pyridine-3-carboxamide
SMILESO=C(NN=CC1CC=CCC1)c1cccnc1
InChIInChI=1S/C13H15N3O/c17-13(12-7-4-8-14-10-12)16-15-9-11-5-2-1-3-6-11/h1-2,4,7-11H,3,5-6H2,(H,16,17)
InChIKeyUSZHYVSWSRGYDU-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.15
Rot. Bonds3

About N-(cyclohex-3-en-1-ylmethylideneamino)pyridine-3-carboxamide

N-(cyclohex-3-en-1-ylmethylideneamino)pyridine-3-carboxamide (PubChem CID 2847162) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethylideneamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethylideneamino)pyridine-3-carboxamide
PubChem CID2847162
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC NameN-(cyclohex-3-en-1-ylmethylideneamino)pyridine-3-carboxamide
SMILESO=C(NN=CC1CC=CCC1)c1cccnc1
InChIInChI=1S/C13H15N3O/c17-13(12-7-4-8-14-10-12)16-15-9-11-5-2-1-3-6-11/h1-2,4,7-11H,3,5-6H2,(H,16,17)
InChIKeyUSZHYVSWSRGYDU-UHFFFAOYSA-N
XLogP2.15
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-4-(phenoxymethyl)benzamide
CID 8518160
N-[(1-benzylpiperidin-4-yl)methylideneamino]pyridine-3-carboxamide
CID 175105269
5-bromo-N-[[(1R)-cyclohex-3-en-1-yl]methylideneamino]furan-2-carboxamide
CID 6744568
N-(prop-2-enylideneamino)pyridine-3-carboxamide
CID 4591479
N-(pyridin-2-ylmethylideneamino)pyridine-3-carboxamide
CID 577497
N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 5390946
N-[[3-[(pyridine-3-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]pyridine-3-carboxamide
CID 1379516
N-[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]pyridine-3-carboxamide
CID 47796916
N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-2-quinolin-8-ylsulfanylacetamide
CID 5395449
N-[(Z)-naphthalen-2-ylmethylideneamino]pyridine-3-carboxamide
CID 5399469
N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]pyridine-3-carboxamide
CID 6869295
N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]pyridine-3-carboxamide
CID 6898640

Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethylideneamino)pyridine-3-carboxamide?
The IUPAC name of N-(cyclohex-3-en-1-ylmethylideneamino)pyridine-3-carboxamide (CID 2847162) is N-(cyclohex-3-en-1-ylmethylideneamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethylideneamino)pyridine-3-carboxamide?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethylideneamino)pyridine-3-carboxamide is O=C(NN=CC1CC=CCC1)c1cccnc1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethylideneamino)pyridine-3-carboxamide?
The InChIKey is USZHYVSWSRGYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c17-13(12-7-4-8-14-10-12)16-15-9-11-5-2-1-3-6-11/h1-2,4,7-11H,3,5-6H2,(H,16,17).
What are the key properties of N-(cyclohex-3-en-1-ylmethylideneamino)pyridine-3-carboxamide?
N-(cyclohex-3-en-1-ylmethylideneamino)pyridine-3-carboxamide has a molecular weight of 229.28 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethylideneamino)pyridine-3-carboxamide is sourced from PubChem (CID 2847162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).