N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyridine-4-carboxamide

C16H17N3O4 — CID 6321940

IUPACN-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyridine-4-carboxamide
SMILESCOc1cc(/C=N/NC(=O)c2ccncc2)cc(OC)c1OC
InChIInChI=1S/C16H17N3O4/c1-21-13-8-11(9-14(22-2)15(13)23-3)10-18-19-16(20)12-4-6-17-7-5-12/h4-10H,1-3H3,(H,19,20)/b18-10+
InChIKeyQXLMRSDBFLKAPR-VCHYOVAHSA-N
MW315.33 g/mol
LogP1.87
Rot. Bonds6

About N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyridine-4-carboxamide

N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyridine-4-carboxamide (PubChem CID 6321940) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyridine-4-carboxamide
PubChem CID6321940
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC NameN-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyridine-4-carboxamide
SMILESCOc1cc(/C=N/NC(=O)c2ccncc2)cc(OC)c1OC
InChIInChI=1S/C16H17N3O4/c1-21-13-8-11(9-14(22-2)15(13)23-3)10-18-19-16(20)12-4-6-17-7-5-12/h4-10H,1-3H3,(H,19,20)/b18-10+
InChIKeyQXLMRSDBFLKAPR-VCHYOVAHSA-N
XLogP1.87
TPSA82.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

[2,6-dimethoxy-4-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] acetate
CID 5402661
N-[(E)-(4-hydroxy-3-methoxy-5-methylphenyl)methylideneamino]pyridine-4-carboxamide
CID 135478100
N-[(Z)-(3,5-dibromo-4-methoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 41270292
4-methyl-N-[(3,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 769086
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-4-carboxamide;methanol
CID 139073608
N-[(Z)-(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 110514781
N-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 135604377
3,4-dimethoxy-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 5335848
2-[2-bromo-6-methoxy-4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenoxy]acetic acid
CID 5152075
N-[(Z)-(4-ethoxy-3-methoxy-5-nitrophenyl)methylideneamino]pyridine-4-carboxamide
CID 110514733
[2-methoxy-4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] methyl carbonate
CID 3373478
N-[(3-chloro-4-methoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 870831

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyridine-4-carboxamide (CID 6321940) is N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyridine-4-carboxamide is COc1cc(/C=N/NC(=O)c2ccncc2)cc(OC)c1OC.
What is the InChIKey of N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyridine-4-carboxamide?
The InChIKey is QXLMRSDBFLKAPR-VCHYOVAHSA-N. The full InChI is InChI=1S/C16H17N3O4/c1-21-13-8-11(9-14(22-2)15(13)23-3)10-18-19-16(20)12-4-6-17-7-5-12/h4-10H,1-3H3,(H,19,20)/b18-10+.
What are the key properties of N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyridine-4-carboxamide?
N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyridine-4-carboxamide has a molecular weight of 315.33 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 6321940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).