N-[[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]pyridine-3-carboxamide

C21H26N4O4 — CID 3254715

IUPACN-[[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]pyridine-3-carboxamide
SMILESCCOc1cc(C=NNC(=O)c2cccnc2)ccc1OCCN1CCOCC1
InChIInChI=1S/C21H26N4O4/c1-2-28-20-14-17(15-23-24-21(26)18-4-3-7-22-16-18)5-6-19(20)29-13-10-25-8-11-27-12-9-25/h3-7,14-16H,2,8-13H2,1H3,(H,24,26)
InChIKeyIWHTZTFGUQEZEX-UHFFFAOYSA-N
MW398.46 g/mol
LogP1.96
Rot. Bonds9

About N-[[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]pyridine-3-carboxamide

N-[[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]pyridine-3-carboxamide (PubChem CID 3254715) has the molecular formula C21H26N4O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is N-[[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]pyridine-3-carboxamide
PubChem CID3254715
Molecular FormulaC21H26N4O4
Molecular Weight398.46 g/mol
Exact Mass398.20
IUPAC NameN-[[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]pyridine-3-carboxamide
SMILESCCOc1cc(C=NNC(=O)c2cccnc2)ccc1OCCN1CCOCC1
InChIInChI=1S/C21H26N4O4/c1-2-28-20-14-17(15-23-24-21(26)18-4-3-7-22-16-18)5-6-19(20)29-13-10-25-8-11-27-12-9-25/h3-7,14-16H,2,8-13H2,1H3,(H,24,26)
InChIKeyIWHTZTFGUQEZEX-UHFFFAOYSA-N
XLogP1.96
TPSA85.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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)-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]pyridine-3-carboxamide
CID 6879261
N-[(Z)-[4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]pyridine-3-carboxamide
CID 110510107
[[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]urea
CID 168532539
N-[[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]methylideneamino]pyridine-4-carboxamide
CID 1000041
N-[(Z)-[3-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]methylideneamino]pyridine-4-carboxamide
CID 5430549
4-bromo-N-[(E)-[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]benzamide
CID 126020485
N-[(E)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 6880150
N-[(Z)-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 5431219
N-[(Z)-[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-morpholin-4-ylacetamide
CID 126018159
N-[[4-(cyanomethoxy)-3-ethoxyphenyl]methylideneamino]-2-morpholin-4-ylacetamide
CID 3696139
N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]pyridine-3-carboxamide
CID 66927790
N-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-6-methylpyridine-3-carboxamide
CID 5416303

Frequently Asked Questions

What is the IUPAC name of N-[[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]pyridine-3-carboxamide?
The IUPAC name of N-[[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]pyridine-3-carboxamide (CID 3254715) is N-[[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for N-[[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]pyridine-3-carboxamide?
The canonical SMILES for N-[[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]pyridine-3-carboxamide is CCOc1cc(C=NNC(=O)c2cccnc2)ccc1OCCN1CCOCC1.
What is the InChIKey of N-[[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]pyridine-3-carboxamide?
The InChIKey is IWHTZTFGUQEZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4/c1-2-28-20-14-17(15-23-24-21(26)18-4-3-7-22-16-18)5-6-19(20)29-13-10-25-8-11-27-12-9-25/h3-7,14-16H,2,8-13H2,1H3,(H,24,26).
What are the key properties of N-[[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]pyridine-3-carboxamide?
N-[[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]pyridine-3-carboxamide has a molecular weight of 398.46 g/mol, XLogP of 1.96, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 3254715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).