N-[(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-4-carboxamide

C17H13N3O2 — CID 4491

IUPACN-[(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-4-carboxamide
SMILESO=C(NN=Cc1c(O)ccc2ccccc12)c1ccncc1
InChIInChI=1S/C17H13N3O2/c21-16-6-5-12-3-1-2-4-14(12)15(16)11-19-20-17(22)13-7-9-18-10-8-13/h1-11,21H,(H,20,22)
InChIKeyWQSHHAVECQJKLX-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.70
Rot. Bonds3

About N-[(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-4-carboxamide

N-[(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-4-carboxamide (PubChem CID 4491) has the molecular formula C17H13N3O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is N-[(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-4-carboxamide
PubChem CID4491
Molecular FormulaC17H13N3O2
Molecular Weight291.31 g/mol
Exact Mass291.10
IUPAC NameN-[(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-4-carboxamide
SMILESO=C(NN=Cc1c(O)ccc2ccccc12)c1ccncc1
InChIInChI=1S/C17H13N3O2/c21-16-6-5-12-3-1-2-4-14(12)15(16)11-19-20-17(22)13-7-9-18-10-8-13/h1-11,21H,(H,20,22)
InChIKeyWQSHHAVECQJKLX-UHFFFAOYSA-N
XLogP2.70
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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-[(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-4-carboxamide (CID 4491) is N-[(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-4-carboxamide is O=C(NN=Cc1c(O)ccc2ccccc12)c1ccncc1.
What is the InChIKey of N-[(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-4-carboxamide?
The InChIKey is WQSHHAVECQJKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2/c21-16-6-5-12-3-1-2-4-14(12)15(16)11-19-20-17(22)13-7-9-18-10-8-13/h1-11,21H,(H,20,22).
What are the key properties of N-[(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-4-carboxamide?
N-[(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-4-carboxamide has a molecular weight of 291.31 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxynaphthalen-1-yl)methylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 4491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).