N-[(Z)-naphthalen-2-ylmethylideneamino]pyridine-3-carboxamide

C17H13N3O — CID 5399469

IUPACN-[(Z)-naphthalen-2-ylmethylideneamino]pyridine-3-carboxamide
SMILESO=C(N/N=C\c1ccc2ccccc2c1)c1cccnc1
InChIInChI=1S/C17H13N3O/c21-17(16-6-3-9-18-12-16)20-19-11-13-7-8-14-4-1-2-5-15(14)10-13/h1-12H,(H,20,21)/b19-11-
InChIKeyTYJCONRBZCIAKR-ODLFYWEKSA-N
MW275.31 g/mol
LogP3.00
Rot. Bonds3

About N-[(Z)-naphthalen-2-ylmethylideneamino]pyridine-3-carboxamide

N-[(Z)-naphthalen-2-ylmethylideneamino]pyridine-3-carboxamide (PubChem CID 5399469) has the molecular formula C17H13N3O and a molecular weight of 275.31 g/mol. Its IUPAC name is N-[(Z)-naphthalen-2-ylmethylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-naphthalen-2-ylmethylideneamino]pyridine-3-carboxamide
PubChem CID5399469
Molecular FormulaC17H13N3O
Molecular Weight275.31 g/mol
Exact Mass275.11
IUPAC NameN-[(Z)-naphthalen-2-ylmethylideneamino]pyridine-3-carboxamide
SMILESO=C(N/N=C\c1ccc2ccccc2c1)c1cccnc1
InChIInChI=1S/C17H13N3O/c21-17(16-6-3-9-18-12-16)20-19-11-13-7-8-14-4-1-2-5-15(14)10-13/h1-12H,(H,20,21)/b19-11-
InChIKeyTYJCONRBZCIAKR-ODLFYWEKSA-N
XLogP3.00
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.00
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-[[3-[(pyridine-3-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]pyridine-3-carboxamide
CID 1379516
N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 135591242
N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 135533190
N'-[(E)-naphthalen-2-ylmethylideneamino]-N-pyridin-3-yloxamide
CID 154631889
[4-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] benzoate
CID 5369591
N-[(E)-2,3-dihydro-1H-inden-5-ylmethylideneamino]pyridine-3-carboxamide
CID 44725537
N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]pyridine-3-carboxamide
CID 6898640
3-chloro-N-[(E)-naphthalen-2-ylmethylideneamino]benzamide
CID 5332427
3-methyl-N-[(Z)-naphthalen-2-ylmethylideneamino]benzamide
CID 5407114
N-(pyridin-2-ylmethylideneamino)pyridine-3-carboxamide
CID 577497
N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 6893810
N-[(E)-(4-cyanophenyl)methylideneamino]pyridine-3-carboxamide
CID 6895632

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-naphthalen-2-ylmethylideneamino]pyridine-3-carboxamide?
The IUPAC name of N-[(Z)-naphthalen-2-ylmethylideneamino]pyridine-3-carboxamide (CID 5399469) is N-[(Z)-naphthalen-2-ylmethylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for N-[(Z)-naphthalen-2-ylmethylideneamino]pyridine-3-carboxamide?
The canonical SMILES for N-[(Z)-naphthalen-2-ylmethylideneamino]pyridine-3-carboxamide is O=C(N/N=C\c1ccc2ccccc2c1)c1cccnc1.
What is the InChIKey of N-[(Z)-naphthalen-2-ylmethylideneamino]pyridine-3-carboxamide?
The InChIKey is TYJCONRBZCIAKR-ODLFYWEKSA-N. The full InChI is InChI=1S/C17H13N3O/c21-17(16-6-3-9-18-12-16)20-19-11-13-7-8-14-4-1-2-5-15(14)10-13/h1-12H,(H,20,21)/b19-11-.
What are the key properties of N-[(Z)-naphthalen-2-ylmethylideneamino]pyridine-3-carboxamide?
N-[(Z)-naphthalen-2-ylmethylideneamino]pyridine-3-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-naphthalen-2-ylmethylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 5399469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).