N-[(E)-[4-(2-amino-2-oxoethoxy)-3-ethoxyphenyl]methylideneamino]pyridine-3-carboxamide

C17H18N4O4 — CID 6906273

IUPACN-[(E)-[4-(2-amino-2-oxoethoxy)-3-ethoxyphenyl]methylideneamino]pyridine-3-carboxamide
SMILESCCOc1cc(/C=N/NC(=O)c2cccnc2)ccc1OCC(N)=O
InChIInChI=1S/C17H18N4O4/c1-2-24-15-8-12(5-6-14(15)25-11-16(18)22)9-20-21-17(23)13-4-3-7-19-10-13/h3-10H,2,11H2,1H3,(H2,18,22)(H,21,23)/b20-9+
InChIKeyNGYJVRYTHYFJHZ-AWQFTUOYSA-N
MW342.36 g/mol
LogP1.11
Rot. Bonds8

About N-[(E)-[4-(2-amino-2-oxoethoxy)-3-ethoxyphenyl]methylideneamino]pyridine-3-carboxamide

N-[(E)-[4-(2-amino-2-oxoethoxy)-3-ethoxyphenyl]methylideneamino]pyridine-3-carboxamide (PubChem CID 6906273) has the molecular formula C17H18N4O4 and a molecular weight of 342.36 g/mol. Its IUPAC name is N-[(E)-[4-(2-amino-2-oxoethoxy)-3-ethoxyphenyl]methylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-[4-(2-amino-2-oxoethoxy)-3-ethoxyphenyl]methylideneamino]pyridine-3-carboxamide
PubChem CID6906273
Molecular FormulaC17H18N4O4
Molecular Weight342.36 g/mol
Exact Mass342.13
IUPAC NameN-[(E)-[4-(2-amino-2-oxoethoxy)-3-ethoxyphenyl]methylideneamino]pyridine-3-carboxamide
SMILESCCOc1cc(/C=N/NC(=O)c2cccnc2)ccc1OCC(N)=O
InChIInChI=1S/C17H18N4O4/c1-2-24-15-8-12(5-6-14(15)25-11-16(18)22)9-20-21-17(23)13-4-3-7-19-10-13/h3-10H,2,11H2,1H3,(H2,18,22)(H,21,23)/b20-9+
InChIKeyNGYJVRYTHYFJHZ-AWQFTUOYSA-N
XLogP1.11
TPSA115.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 51.11
H-Bond Donors ≤ 52
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

(E)-N'-(4'-Hydroxy-3-methoxybenzylidene)isonicotinohydrazide (3g)
CID 135412163
Verazide
CID 9574235
N'-(3-Ethoxy-2-hydroxybenzylidene)nicotinohydrazide
CID 135533166
N'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylidene]pyridine-3-carbohydrazide
CID 135642283
N'-[(E)-(3,4,5-trimethoxyphenyl)methylidene]pyridine-4-carbohydrazide
CID 6321940
Acetic acid 2-methoxy-4-[(pyridine-4-carbonyl)-hydrazonomethyl]-phenyl ester
CID 6871707
Nicotinic acid benzo[1,3]dioxol-5-ylmethylene-hydrazide
CID 6862671
2-Methoxy-4-(2-(3-pyridinylcarbonyl)carbohydrazonoyl)phenyl 3-bromobenzoate
CID 5340144
N'-[2-(3,4-dimethylphenoxy)acetyl]pyridine-3-carbohydrazide
CID 774755
N-[(E)-[4-[2-(2-chloroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]pyridine-3-carboxamide
CID 6905900
N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]nicotinohydrazide
CID 808281
[2-[2-(3,4-Diethoxyphenyl)ethylamino]-2-oxoethyl] pyridine-4-carboxylate
CID 2477265

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-(2-amino-2-oxoethoxy)-3-ethoxyphenyl]methylideneamino]pyridine-3-carboxamide?
The IUPAC name of N-[(E)-[4-(2-amino-2-oxoethoxy)-3-ethoxyphenyl]methylideneamino]pyridine-3-carboxamide (CID 6906273) is N-[(E)-[4-(2-amino-2-oxoethoxy)-3-ethoxyphenyl]methylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for N-[(E)-[4-(2-amino-2-oxoethoxy)-3-ethoxyphenyl]methylideneamino]pyridine-3-carboxamide?
The canonical SMILES for N-[(E)-[4-(2-amino-2-oxoethoxy)-3-ethoxyphenyl]methylideneamino]pyridine-3-carboxamide is CCOc1cc(/C=N/NC(=O)c2cccnc2)ccc1OCC(N)=O.
What is the InChIKey of N-[(E)-[4-(2-amino-2-oxoethoxy)-3-ethoxyphenyl]methylideneamino]pyridine-3-carboxamide?
The InChIKey is NGYJVRYTHYFJHZ-AWQFTUOYSA-N. The full InChI is InChI=1S/C17H18N4O4/c1-2-24-15-8-12(5-6-14(15)25-11-16(18)22)9-20-21-17(23)13-4-3-7-19-10-13/h3-10H,2,11H2,1H3,(H2,18,22)(H,21,23)/b20-9+.
What are the key properties of N-[(E)-[4-(2-amino-2-oxoethoxy)-3-ethoxyphenyl]methylideneamino]pyridine-3-carboxamide?
N-[(E)-[4-(2-amino-2-oxoethoxy)-3-ethoxyphenyl]methylideneamino]pyridine-3-carboxamide has a molecular weight of 342.36 g/mol, XLogP of 1.11, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-(2-amino-2-oxoethoxy)-3-ethoxyphenyl]methylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 6906273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).