N-[(E)-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]pyridine-3-carboxamide

C19H22N4O3 — CID 6879261

IUPACN-[(E)-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]pyridine-3-carboxamide
SMILESCOc1ccc(/C=N/NC(=O)c2cccnc2)cc1CN1CCOCC1
InChIInChI=1S/C19H22N4O3/c1-25-18-5-4-15(11-17(18)14-23-7-9-26-10-8-23)12-21-22-19(24)16-3-2-6-20-13-16/h2-6,11-13H,7-10,14H2,1H3,(H,22,24)/b21-12+
InChIKeyLPMXSHXJDGRBIP-CIAFOILYSA-N
MW354.41 g/mol
LogP1.69
Rot. Bonds6

About N-[(E)-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]pyridine-3-carboxamide

N-[(E)-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]pyridine-3-carboxamide (PubChem CID 6879261) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-[(E)-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]pyridine-3-carboxamide
PubChem CID6879261
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC NameN-[(E)-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]pyridine-3-carboxamide
SMILESCOc1ccc(/C=N/NC(=O)c2cccnc2)cc1CN1CCOCC1
InChIInChI=1S/C19H22N4O3/c1-25-18-5-4-15(11-17(18)14-23-7-9-26-10-8-23)12-21-22-19(24)16-3-2-6-20-13-16/h2-6,11-13H,7-10,14H2,1H3,(H,22,24)/b21-12+
InChIKeyLPMXSHXJDGRBIP-CIAFOILYSA-N
XLogP1.69
TPSA76.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.69
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)-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]-2-phenylacetamide
CID 171985779
N-[[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]pyridine-3-carboxamide
CID 3254715
4-chloro-N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]-1-methylpyrazole-3-carboxamide
CID 1222812
N-[(E)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 6880150
2-(3-ethoxyphenyl)-N-[(E)-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]quinoline-4-carboxamide
CID 6873346
[2-methoxy-4-[(E)-(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] furan-2-carboxylate
CID 6896381
N-[(Z)-[4-methoxy-3-(morpholin-4-ium-4-ylmethyl)phenyl]methylideneamino]pyridine-4-carboxamide
CID 7741045
N-[2-[2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-3-carboxamide
CID 5207082
N-[(E)-[4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl]methylideneamino]pyridine-3-carboxamide
CID 6867570
N-[[3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]pyridine-3-carboxamide
CID 1276215
[2-methoxy-4-[(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] benzenesulfonate
CID 3630214
2,4,6-trichloro-N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]aniline
CID 3791654

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]pyridine-3-carboxamide?
The IUPAC name of N-[(E)-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]pyridine-3-carboxamide (CID 6879261) is N-[(E)-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for N-[(E)-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]pyridine-3-carboxamide?
The canonical SMILES for N-[(E)-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]pyridine-3-carboxamide is COc1ccc(/C=N/NC(=O)c2cccnc2)cc1CN1CCOCC1.
What is the InChIKey of N-[(E)-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]pyridine-3-carboxamide?
The InChIKey is LPMXSHXJDGRBIP-CIAFOILYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-25-18-5-4-15(11-17(18)14-23-7-9-26-10-8-23)12-21-22-19(24)16-3-2-6-20-13-16/h2-6,11-13H,7-10,14H2,1H3,(H,22,24)/b21-12+.
What are the key properties of N-[(E)-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]pyridine-3-carboxamide?
N-[(E)-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]pyridine-3-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 6879261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).