N-[1-(3-methoxyphenyl)ethylideneamino]pyridine-3-carboxamide

C15H15N3O2 — CID 4227241

IUPACN-[1-(3-methoxyphenyl)ethylideneamino]pyridine-3-carboxamide
SMILESCOc1cccc(C(C)=NNC(=O)c2cccnc2)c1
InChIInChI=1S/C15H15N3O2/c1-11(12-5-3-7-14(9-12)20-2)17-18-15(19)13-6-4-8-16-10-13/h3-10H,1-2H3,(H,18,19)
InChIKeyRZKBMKBQRJYHIY-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.24
Rot. Bonds4

About N-[1-(3-methoxyphenyl)ethylideneamino]pyridine-3-carboxamide

N-[1-(3-methoxyphenyl)ethylideneamino]pyridine-3-carboxamide (PubChem CID 4227241) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is N-[1-(3-methoxyphenyl)ethylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-methoxyphenyl)ethylideneamino]pyridine-3-carboxamide
PubChem CID4227241
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC NameN-[1-(3-methoxyphenyl)ethylideneamino]pyridine-3-carboxamide
SMILESCOc1cccc(C(C)=NNC(=O)c2cccnc2)c1
InChIInChI=1S/C15H15N3O2/c1-11(12-5-3-7-14(9-12)20-2)17-18-15(19)13-6-4-8-16-10-13/h3-10H,1-2H3,(H,18,19)
InChIKeyRZKBMKBQRJYHIY-UHFFFAOYSA-N
XLogP2.24
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.24
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

3,5-dimethoxy-N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]benzamide
CID 9461084
3-methoxy-N-(1-phenylethylideneamino)benzamide
CID 955694
N-[1-(3,4-dimethylphenyl)ethylideneamino]pyridine-3-carboxamide
CID 4683801
N-[1-[3-(trifluoromethyl)phenyl]ethylideneamino]pyridine-3-carboxamide
CID 4836895
N-[1-(3-methoxyphenyl)ethylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 4694326
[1-(3-methoxyphenyl)ethylideneamino]urea
CID 3676916
N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-3-methoxybenzamide
CID 5076368
N-[(Z)-1-(4-iodophenyl)ethylideneamino]pyridine-3-carboxamide
CID 9059749
N-[(Z)-1-(2,4,5-trimethylphenyl)ethylideneamino]pyridine-3-carboxamide
CID 9059755
N-[(Z)-1-(6-methyl-2-pyridinyl)ethylideneamino]pyridine-3-carboxamide
CID 20843946
N-[1-[4-(difluoromethoxy)phenyl]ethylideneamino]pyridine-3-carboxamide
CID 4606175
N-[1-(3-methoxyphenyl)ethylideneamino]-4-nitrobenzamide
CID 4185393

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxyphenyl)ethylideneamino]pyridine-3-carboxamide?
The IUPAC name of N-[1-(3-methoxyphenyl)ethylideneamino]pyridine-3-carboxamide (CID 4227241) is N-[1-(3-methoxyphenyl)ethylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(3-methoxyphenyl)ethylideneamino]pyridine-3-carboxamide?
The canonical SMILES for N-[1-(3-methoxyphenyl)ethylideneamino]pyridine-3-carboxamide is COc1cccc(C(C)=NNC(=O)c2cccnc2)c1.
What is the InChIKey of N-[1-(3-methoxyphenyl)ethylideneamino]pyridine-3-carboxamide?
The InChIKey is RZKBMKBQRJYHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-11(12-5-3-7-14(9-12)20-2)17-18-15(19)13-6-4-8-16-10-13/h3-10H,1-2H3,(H,18,19).
What are the key properties of N-[1-(3-methoxyphenyl)ethylideneamino]pyridine-3-carboxamide?
N-[1-(3-methoxyphenyl)ethylideneamino]pyridine-3-carboxamide has a molecular weight of 269.30 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxyphenyl)ethylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 4227241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).