N-(cyclohexylideneamino)pyridine-4-carboxamide

C12H15N3O — CID 27256

IUPACN-(cyclohexylideneamino)pyridine-4-carboxamide
SMILESO=C(NN=C1CCCCC1)c1ccncc1
InChIInChI=1S/C12H15N3O/c16-12(10-6-8-13-9-7-10)15-14-11-4-2-1-3-5-11/h6-9H,1-5H2,(H,15,16)
InChIKeyNGFVJSNUQFGXDF-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.13
Rot. Bonds2

About N-(cyclohexylideneamino)pyridine-4-carboxamide

N-(cyclohexylideneamino)pyridine-4-carboxamide (PubChem CID 27256) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is N-(cyclohexylideneamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylideneamino)pyridine-4-carboxamide
PubChem CID27256
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC NameN-(cyclohexylideneamino)pyridine-4-carboxamide
SMILESO=C(NN=C1CCCCC1)c1ccncc1
InChIInChI=1S/C12H15N3O/c16-12(10-6-8-13-9-7-10)15-14-11-4-2-1-3-5-11/h6-9H,1-5H2,(H,15,16)
InChIKeyNGFVJSNUQFGXDF-UHFFFAOYSA-N
XLogP2.13
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Related Compounds

N-(cyclooctylideneamino)pyridine-4-carboxamide;3-hydroxybenzoic acid
CID 139196016
N-(cyclododecylideneamino)benzamide
CID 4147051
N-(cycloheptylideneamino)pyridine-3-carboxamide
CID 4131498
N-(cyclooctylideneamino)-4-hydroxybenzamide
CID 4218181
N-(cyclohexylideneamino)-4-(2-cyclohexylidenehydrazinyl)benzamide
CID 5074578
4-acetamido-N-(cyclohexylideneamino)benzamide
CID 4510356
ethyl 4-(pyridine-4-carbonylhydrazinylidene)piperidine-1-carboxylate
CID 5236956
N-[4-[(cycloheptylideneamino)carbamoyl]phenyl]pyridine-2-carboxamide
CID 156598002
N-(1,3-dithiolan-2-ylideneamino)pyridine-4-carboxamide
CID 1280746
N-(cyclohexylideneamino)-4-(diethylamino)benzamide
CID 7929020
N-[(E)-(2-nitrocyclohexylidene)amino]pyridine-4-carboxamide
CID 6372774
N-(cyclododecylideneamino)-3-methylbenzamide
CID 4110960

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylideneamino)pyridine-4-carboxamide?
The IUPAC name of N-(cyclohexylideneamino)pyridine-4-carboxamide (CID 27256) is N-(cyclohexylideneamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(cyclohexylideneamino)pyridine-4-carboxamide?
The canonical SMILES for N-(cyclohexylideneamino)pyridine-4-carboxamide is O=C(NN=C1CCCCC1)c1ccncc1.
What is the InChIKey of N-(cyclohexylideneamino)pyridine-4-carboxamide?
The InChIKey is NGFVJSNUQFGXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c16-12(10-6-8-13-9-7-10)15-14-11-4-2-1-3-5-11/h6-9H,1-5H2,(H,15,16).
What are the key properties of N-(cyclohexylideneamino)pyridine-4-carboxamide?
N-(cyclohexylideneamino)pyridine-4-carboxamide has a molecular weight of 217.27 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylideneamino)pyridine-4-carboxamide is sourced from PubChem (CID 27256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).