N-(cyclooctylideneamino)pyridine-4-carboxamide;3-hydroxybenzoic acid

C21H25N3O4 — CID 139196016

IUPACN-(cyclooctylideneamino)pyridine-4-carboxamide;3-hydroxybenzoic acid
SMILESO=C(NN=C1CCCCCCC1)c1ccncc1.O=C(O)c1cccc(O)c1
InChIInChI=1S/C14H19N3O.C7H6O3/c18-14(12-8-10-15-11-9-12)17-16-13-6-4-2-1-3-5-7-13;8-6-3-1-2-5(4-6)7(9)10/h8-11H,1-7H2,(H,17,18);1-4,8H,(H,9,10)
InChIKeyRLKQWSUAIRMZKS-UHFFFAOYSA-N
MW383.45 g/mol
LogP4.00
Rot. Bonds3

About N-(cyclooctylideneamino)pyridine-4-carboxamide;3-hydroxybenzoic acid

N-(cyclooctylideneamino)pyridine-4-carboxamide;3-hydroxybenzoic acid (PubChem CID 139196016) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-(cyclooctylideneamino)pyridine-4-carboxamide;3-hydroxybenzoic acid.

Molecular Properties

Compound NameN-(cyclooctylideneamino)pyridine-4-carboxamide;3-hydroxybenzoic acid
PubChem CID139196016
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC NameN-(cyclooctylideneamino)pyridine-4-carboxamide;3-hydroxybenzoic acid
SMILESO=C(NN=C1CCCCCCC1)c1ccncc1.O=C(O)c1cccc(O)c1
InChIInChI=1S/C14H19N3O.C7H6O3/c18-14(12-8-10-15-11-9-12)17-16-13-6-4-2-1-3-5-7-13;8-6-3-1-2-5(4-6)7(9)10/h8-11H,1-7H2,(H,17,18);1-4,8H,(H,9,10)
InChIKeyRLKQWSUAIRMZKS-UHFFFAOYSA-N
XLogP4.00
TPSA111.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-(cyclohexylideneamino)pyridine-4-carboxamide
CID 27256
N-(cyclododecylideneamino)benzamide
CID 4147051
N-(cyclooctylideneamino)-4-hydroxybenzamide
CID 4218181
N-(cycloheptylideneamino)pyridine-3-carboxamide
CID 4131498
3-hydroxybenzoic acid;N-[(E)-1-(4-methylphenyl)ethylideneamino]pyridine-4-carboxamide
CID 139196017
N-(cyclododecylideneamino)-3-methylbenzamide
CID 4110960
N-(cycloheptylideneamino)-3-methoxybenzamide
CID 3610862
N-(cyclohexylideneamino)-4-(2-cyclohexylidenehydrazinyl)benzamide
CID 5074578
CID 174830791
CID 174830791
CID 66671873
CID 66671873
3-hydroxybenzoic acid;hydrochloride
CID 118389750
3-hydroxy-N-[(E)-pyridin-4-ylmethylideneamino]benzamide
CID 6911445

Frequently Asked Questions

What is the IUPAC name of N-(cyclooctylideneamino)pyridine-4-carboxamide;3-hydroxybenzoic acid?
The IUPAC name of N-(cyclooctylideneamino)pyridine-4-carboxamide;3-hydroxybenzoic acid (CID 139196016) is N-(cyclooctylideneamino)pyridine-4-carboxamide;3-hydroxybenzoic acid.
What is the SMILES notation for N-(cyclooctylideneamino)pyridine-4-carboxamide;3-hydroxybenzoic acid?
The canonical SMILES for N-(cyclooctylideneamino)pyridine-4-carboxamide;3-hydroxybenzoic acid is O=C(NN=C1CCCCCCC1)c1ccncc1.O=C(O)c1cccc(O)c1.
What is the InChIKey of N-(cyclooctylideneamino)pyridine-4-carboxamide;3-hydroxybenzoic acid?
The InChIKey is RLKQWSUAIRMZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O.C7H6O3/c18-14(12-8-10-15-11-9-12)17-16-13-6-4-2-1-3-5-7-13;8-6-3-1-2-5(4-6)7(9)10/h8-11H,1-7H2,(H,17,18);1-4,8H,(H,9,10).
What are the key properties of N-(cyclooctylideneamino)pyridine-4-carboxamide;3-hydroxybenzoic acid?
N-(cyclooctylideneamino)pyridine-4-carboxamide;3-hydroxybenzoic acid has a molecular weight of 383.45 g/mol, XLogP of 4.00, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclooctylideneamino)pyridine-4-carboxamide;3-hydroxybenzoic acid is sourced from PubChem (CID 139196016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).