N-[1-(2,3,4-trimethoxyphenyl)ethylideneamino]pyridine-2-carboxamide

C17H19N3O4 — CID 768102

IUPACN-[1-(2,3,4-trimethoxyphenyl)ethylideneamino]pyridine-2-carboxamide
SMILESCOc1ccc(C(C)=NNC(=O)c2ccccn2)c(OC)c1OC
InChIInChI=1S/C17H19N3O4/c1-11(19-20-17(21)13-7-5-6-10-18-13)12-8-9-14(22-2)16(24-4)15(12)23-3/h5-10H,1-4H3,(H,20,21)
InChIKeyFVGRJGWEAWGCMB-UHFFFAOYSA-N
MW329.36 g/mol
LogP2.26
Rot. Bonds6

About N-[1-(2,3,4-trimethoxyphenyl)ethylideneamino]pyridine-2-carboxamide

N-[1-(2,3,4-trimethoxyphenyl)ethylideneamino]pyridine-2-carboxamide (PubChem CID 768102) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is N-[1-(2,3,4-trimethoxyphenyl)ethylideneamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2,3,4-trimethoxyphenyl)ethylideneamino]pyridine-2-carboxamide
PubChem CID768102
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC NameN-[1-(2,3,4-trimethoxyphenyl)ethylideneamino]pyridine-2-carboxamide
SMILESCOc1ccc(C(C)=NNC(=O)c2ccccn2)c(OC)c1OC
InChIInChI=1S/C17H19N3O4/c1-11(19-20-17(21)13-7-5-6-10-18-13)12-8-9-14(22-2)16(24-4)15(12)23-3/h5-10H,1-4H3,(H,20,21)
InChIKeyFVGRJGWEAWGCMB-UHFFFAOYSA-N
XLogP2.26
TPSA82.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 52.26
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

N-[1-(2,5-dimethoxyphenyl)ethylideneamino]pyridine-2-carboxamide
CID 5238816
N-[(Z)-1-(2,3,4-trimethoxyphenyl)ethylideneamino]pyridine-3-carboxamide
CID 5403853
2,3,4-trimethoxy-N-pyridin-2-ylbenzamide
CID 17399517
N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]pyridine-2-carboxamide
CID 5402845
N-[(E)-1-(4-methoxy-3-nitrophenyl)ethylideneamino]pyridine-2-carboxamide
CID 5335115
3,5-dimethoxy-N-[(Z)-1-pyridin-2-ylethylideneamino]benzamide
CID 9461008
N-(dipyridin-2-ylmethylideneamino)-3,4-dimethoxybenzamide
CID 162738459
N-[(E)-1-(2-fluoro-4-phenylphenyl)ethylideneamino]pyridine-2-carboxamide
CID 6941486
N-[(Z)-1-(2-methoxyphenyl)ethylideneamino]pyridine-4-carboxamide
CID 7937174
N-[(Z)-[(3Z)-3-hydroxyiminobutan-2-ylidene]amino]pyridine-2-carboxamide
CID 135460521
N-[(Z)-1-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]ethylideneamino]pyridine-2-carboxamide
CID 9015637
3,4-dichloro-N-(1-pyridin-2-ylethylideneamino)benzamide
CID 773914

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3,4-trimethoxyphenyl)ethylideneamino]pyridine-2-carboxamide?
The IUPAC name of N-[1-(2,3,4-trimethoxyphenyl)ethylideneamino]pyridine-2-carboxamide (CID 768102) is N-[1-(2,3,4-trimethoxyphenyl)ethylideneamino]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-(2,3,4-trimethoxyphenyl)ethylideneamino]pyridine-2-carboxamide?
The canonical SMILES for N-[1-(2,3,4-trimethoxyphenyl)ethylideneamino]pyridine-2-carboxamide is COc1ccc(C(C)=NNC(=O)c2ccccn2)c(OC)c1OC.
What is the InChIKey of N-[1-(2,3,4-trimethoxyphenyl)ethylideneamino]pyridine-2-carboxamide?
The InChIKey is FVGRJGWEAWGCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-11(19-20-17(21)13-7-5-6-10-18-13)12-8-9-14(22-2)16(24-4)15(12)23-3/h5-10H,1-4H3,(H,20,21).
What are the key properties of N-[1-(2,3,4-trimethoxyphenyl)ethylideneamino]pyridine-2-carboxamide?
N-[1-(2,3,4-trimethoxyphenyl)ethylideneamino]pyridine-2-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3,4-trimethoxyphenyl)ethylideneamino]pyridine-2-carboxamide is sourced from PubChem (CID 768102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).