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

C18H15N3O2 — CID 904375

IUPACN-[(4-methoxynaphthalen-1-yl)methylideneamino]pyridine-4-carboxamide
SMILESCOc1ccc(C=NNC(=O)c2ccncc2)c2ccccc12
InChIInChI=1S/C18H15N3O2/c1-23-17-7-6-14(15-4-2-3-5-16(15)17)12-20-21-18(22)13-8-10-19-11-9-13/h2-12H,1H3,(H,21,22)
InChIKeyLEPLZVDNUAUADS-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.01
Rot. Bonds4

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

N-[(4-methoxynaphthalen-1-yl)methylideneamino]pyridine-4-carboxamide (PubChem CID 904375) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is N-[(4-methoxynaphthalen-1-yl)methylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxynaphthalen-1-yl)methylideneamino]pyridine-4-carboxamide
PubChem CID904375
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC NameN-[(4-methoxynaphthalen-1-yl)methylideneamino]pyridine-4-carboxamide
SMILESCOc1ccc(C=NNC(=O)c2ccncc2)c2ccccc12
InChIInChI=1S/C18H15N3O2/c1-23-17-7-6-14(15-4-2-3-5-16(15)17)12-20-21-18(22)13-8-10-19-11-9-13/h2-12H,1H3,(H,21,22)
InChIKeyLEPLZVDNUAUADS-UHFFFAOYSA-N
XLogP3.01
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

4-chloro-N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]benzamide
CID 5416523
chloroform;N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 139060030
manganese(2+);[2-methoxy-6-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl]oxidanium
CID 50910170
N-[(Z)-[2-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]pyridine-4-carboxamide
CID 9015092
3-chloro-N-[(4-methoxynaphthalen-1-yl)methylideneamino]benzamide
CID 693396
N-[(2-chloro-4,5-dimethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 758167
2-chloro-N-[(E)-(4-methoxynaphthalen-1-yl)methylideneamino]benzamide
CID 6870033
N-[(4-methoxynaphthalen-1-yl)methylideneamino]-4-(pentanoylamino)benzamide
CID 4926033
[2-methoxy-6-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] 4-bromobenzoate
CID 6138569
N-[(E)-[3-methoxy-2-[(2-nitrophenyl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide
CID 139070793
3-methoxy-N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]naphthalene-2-carboxamide
CID 6044173
N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 9015072

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxynaphthalen-1-yl)methylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(4-methoxynaphthalen-1-yl)methylideneamino]pyridine-4-carboxamide (CID 904375) is N-[(4-methoxynaphthalen-1-yl)methylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(4-methoxynaphthalen-1-yl)methylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(4-methoxynaphthalen-1-yl)methylideneamino]pyridine-4-carboxamide is COc1ccc(C=NNC(=O)c2ccncc2)c2ccccc12.
What is the InChIKey of N-[(4-methoxynaphthalen-1-yl)methylideneamino]pyridine-4-carboxamide?
The InChIKey is LEPLZVDNUAUADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c1-23-17-7-6-14(15-4-2-3-5-16(15)17)12-20-21-18(22)13-8-10-19-11-9-13/h2-12H,1H3,(H,21,22).
What are the key properties of N-[(4-methoxynaphthalen-1-yl)methylideneamino]pyridine-4-carboxamide?
N-[(4-methoxynaphthalen-1-yl)methylideneamino]pyridine-4-carboxamide has a molecular weight of 305.34 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxynaphthalen-1-yl)methylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 904375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).