N-[(Z)-1-(4-methoxyphenyl)propylideneamino]pyridine-3-carboxamide

C16H17N3O2 — CID 6062098

IUPACN-[(Z)-1-(4-methoxyphenyl)propylideneamino]pyridine-3-carboxamide
SMILESCC/C(=N/NC(=O)c1cccnc1)c1ccc(OC)cc1
InChIInChI=1S/C16H17N3O2/c1-3-15(12-6-8-14(21-2)9-7-12)18-19-16(20)13-5-4-10-17-11-13/h4-11H,3H2,1-2H3,(H,19,20)/b18-15-
InChIKeyHGQHZFAPQHFSHP-SDXDJHTJSA-N
MW283.33 g/mol
LogP2.63
Rot. Bonds5

About N-[(Z)-1-(4-methoxyphenyl)propylideneamino]pyridine-3-carboxamide

N-[(Z)-1-(4-methoxyphenyl)propylideneamino]pyridine-3-carboxamide (PubChem CID 6062098) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-[(Z)-1-(4-methoxyphenyl)propylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-(4-methoxyphenyl)propylideneamino]pyridine-3-carboxamide
PubChem CID6062098
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC NameN-[(Z)-1-(4-methoxyphenyl)propylideneamino]pyridine-3-carboxamide
SMILESCC/C(=N/NC(=O)c1cccnc1)c1ccc(OC)cc1
InChIInChI=1S/C16H17N3O2/c1-3-15(12-6-8-14(21-2)9-7-12)18-19-16(20)13-5-4-10-17-11-13/h4-11H,3H2,1-2H3,(H,19,20)/b18-15-
InChIKeyHGQHZFAPQHFSHP-SDXDJHTJSA-N
XLogP2.63
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.63
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

N-[1-(3,4-dichlorophenyl)propylideneamino]pyridine-3-carboxamide
CID 4836955
N-[1-(4-methoxyphenyl)propylideneamino]-3-methylbenzamide
CID 840640
N-[1-(4-methoxyphenyl)propylideneamino]-4-phenylbenzamide
CID 5000617
3-fluoro-N-[1-(4-methoxyphenyl)propylideneamino]benzamide
CID 4286726
N-[(Z)-1-(3-chlorophenyl)propylideneamino]pyridine-3-carboxamide
CID 6241485
N-[1-(3-methoxyphenyl)ethylideneamino]pyridine-3-carboxamide
CID 4227241
2-chloro-N-[1-(4-methoxyphenyl)propylideneamino]benzamide
CID 4096350
N-[(E)-1-phenylhexylideneamino]pyridine-3-carboxamide
CID 5337549
N'-[1-(4-methoxyphenyl)ethenyl]pyridine-3-carbohydrazide
CID 4744370
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 47178927
N-[(Z)-1-(2,4-dichlorophenyl)propylideneamino]pyridine-3-carboxamide
CID 6073439
N-[(E)-1-(4-methoxyphenyl)propylideneamino]pentanamide
CID 6379049

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-methoxyphenyl)propylideneamino]pyridine-3-carboxamide?
The IUPAC name of N-[(Z)-1-(4-methoxyphenyl)propylideneamino]pyridine-3-carboxamide (CID 6062098) is N-[(Z)-1-(4-methoxyphenyl)propylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for N-[(Z)-1-(4-methoxyphenyl)propylideneamino]pyridine-3-carboxamide?
The canonical SMILES for N-[(Z)-1-(4-methoxyphenyl)propylideneamino]pyridine-3-carboxamide is CC/C(=N/NC(=O)c1cccnc1)c1ccc(OC)cc1.
What is the InChIKey of N-[(Z)-1-(4-methoxyphenyl)propylideneamino]pyridine-3-carboxamide?
The InChIKey is HGQHZFAPQHFSHP-SDXDJHTJSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-3-15(12-6-8-14(21-2)9-7-12)18-19-16(20)13-5-4-10-17-11-13/h4-11H,3H2,1-2H3,(H,19,20)/b18-15-.
What are the key properties of N-[(Z)-1-(4-methoxyphenyl)propylideneamino]pyridine-3-carboxamide?
N-[(Z)-1-(4-methoxyphenyl)propylideneamino]pyridine-3-carboxamide has a molecular weight of 283.33 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-methoxyphenyl)propylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 6062098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).