N-[(Z)-[4-[2-(dimethylamino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]pyridine-2-carboxamide

C19H22N4O4 — CID 9015583

IUPACN-[(Z)-[4-[2-(dimethylamino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]pyridine-2-carboxamide
SMILESCCOc1cc(/C=N\NC(=O)c2ccccn2)ccc1OCC(=O)N(C)C
InChIInChI=1S/C19H22N4O4/c1-4-26-17-11-14(8-9-16(17)27-13-18(24)23(2)3)12-21-22-19(25)15-7-5-6-10-20-15/h5-12H,4,13H2,1-3H3,(H,22,25)/b21-12-
InChIKeyNQJKFTLVFVFTSM-MTJSOVHGSA-N
MW370.41 g/mol
LogP1.71
Rot. Bonds8

About N-[(Z)-[4-[2-(dimethylamino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]pyridine-2-carboxamide

N-[(Z)-[4-[2-(dimethylamino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]pyridine-2-carboxamide (PubChem CID 9015583) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-[(Z)-[4-[2-(dimethylamino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[4-[2-(dimethylamino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]pyridine-2-carboxamide
PubChem CID9015583
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC NameN-[(Z)-[4-[2-(dimethylamino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]pyridine-2-carboxamide
SMILESCCOc1cc(/C=N\NC(=O)c2ccccn2)ccc1OCC(=O)N(C)C
InChIInChI=1S/C19H22N4O4/c1-4-26-17-11-14(8-9-16(17)27-13-18(24)23(2)3)12-21-22-19(25)15-7-5-6-10-20-15/h5-12H,4,13H2,1-3H3,(H,22,25)/b21-12-
InChIKeyNQJKFTLVFVFTSM-MTJSOVHGSA-N
XLogP1.71
TPSA93.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 51.71
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-[(E)-[3-bromo-4-[2-(dimethylamino)-2-oxoethoxy]-5-ethoxyphenyl]methylideneamino]pyridine-2-carboxamide
CID 6893167
N-[(E)-[4-[2-(dimethylamino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-2-hydroxybenzamide
CID 6910148
2-[4-[(Z)-2-cyano-2-pyridin-2-ylethenyl]-2-ethoxyphenoxy]-N,N-dimethylacetamide
CID 7946812
N-[(E)-[4-[2-(dimethylamino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
CID 16553500
tert-butyl N-[[4-[2-(dimethylamino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]carbamate
CID 2439383
[2-ethoxy-4-[(E)-(pyridine-2-carbonylhydrazinylidene)methyl]phenyl] thiophene-2-carboxylate
CID 5340882
2-chloro-N-[(Z)-(3,4-diethoxyphenyl)methylideneamino]benzamide
CID 110509238
N-[(Z)-(3-ethoxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 40618803
2-[2-ethoxy-4-[(Z)-[(2-fluorophenyl)carbamothioylhydrazinylidene]methyl]phenoxy]-N,N-dimethylacetamide
CID 7933596
methyl 2-[4-[[(2-chloropyridine-3-carbonyl)hydrazinylidene]methyl]-2-ethoxyphenoxy]acetate
CID 3513981
N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 950063
2-amino-N-[(Z)-[4-[2-(diethylamino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]benzamide
CID 110512029

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-[2-(dimethylamino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]pyridine-2-carboxamide?
The IUPAC name of N-[(Z)-[4-[2-(dimethylamino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]pyridine-2-carboxamide (CID 9015583) is N-[(Z)-[4-[2-(dimethylamino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]pyridine-2-carboxamide.
What is the SMILES notation for N-[(Z)-[4-[2-(dimethylamino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]pyridine-2-carboxamide?
The canonical SMILES for N-[(Z)-[4-[2-(dimethylamino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]pyridine-2-carboxamide is CCOc1cc(/C=N\NC(=O)c2ccccn2)ccc1OCC(=O)N(C)C.
What is the InChIKey of N-[(Z)-[4-[2-(dimethylamino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]pyridine-2-carboxamide?
The InChIKey is NQJKFTLVFVFTSM-MTJSOVHGSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-4-26-17-11-14(8-9-16(17)27-13-18(24)23(2)3)12-21-22-19(25)15-7-5-6-10-20-15/h5-12H,4,13H2,1-3H3,(H,22,25)/b21-12-.
What are the key properties of N-[(Z)-[4-[2-(dimethylamino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]pyridine-2-carboxamide?
N-[(Z)-[4-[2-(dimethylamino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]pyridine-2-carboxamide has a molecular weight of 370.41 g/mol, XLogP of 1.71, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-[2-(dimethylamino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]pyridine-2-carboxamide is sourced from PubChem (CID 9015583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).