N-[(Z)-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]methylideneamino]pyridine-3-carboxamide

C18H22N4O2 — CID 9060004

IUPACN-[(Z)-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]methylideneamino]pyridine-3-carboxamide
SMILESCCN(CCO)c1ccc(/C=N\NC(=O)c2cccnc2)c(C)c1
InChIInChI=1S/C18H22N4O2/c1-3-22(9-10-23)17-7-6-15(14(2)11-17)13-20-21-18(24)16-5-4-8-19-12-16/h4-8,11-13,23H,3,9-10H2,1-2H3,(H,21,24)/b20-13-
InChIKeyNRMNHKHROQDWJX-MOSHPQCFSA-N
MW326.40 g/mol
LogP1.97
Rot. Bonds7

About N-[(Z)-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]methylideneamino]pyridine-3-carboxamide

N-[(Z)-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]methylideneamino]pyridine-3-carboxamide (PubChem CID 9060004) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[(Z)-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]methylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]methylideneamino]pyridine-3-carboxamide
PubChem CID9060004
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-[(Z)-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]methylideneamino]pyridine-3-carboxamide
SMILESCCN(CCO)c1ccc(/C=N\NC(=O)c2cccnc2)c(C)c1
InChIInChI=1S/C18H22N4O2/c1-3-22(9-10-23)17-7-6-15(14(2)11-17)13-20-21-18(24)16-5-4-8-19-12-16/h4-8,11-13,23H,3,9-10H2,1-2H3,(H,21,24)/b20-13-
InChIKeyNRMNHKHROQDWJX-MOSHPQCFSA-N
XLogP1.97
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(dipropylamino)-2-methylphenyl]methylideneamino]pyridine-3-carboxamide
CID 155812952
5-chloro-N-[(Z)-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]methylideneamino]-2-hydroxybenzamide
CID 9040611
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]pyridine-4-carboxamide;hydrate
CID 139202887
5-bromo-N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]pyridine-3-carboxamide
CID 135643232
2-[N-ethyl-3-methyl-4-[(Z)-[(2-nitrophenyl)hydrazinylidene]methyl]anilino]ethanol
CID 9059235
N-[(E)-[2-[butyl(ethyl)amino]-5-nitrophenyl]methylideneamino]pyridine-3-carboxamide
CID 46501939
N-[(Z)-[4-[2-cyanoethyl(ethyl)amino]-2-methylphenyl]methylideneamino]-1H-pyrrole-2-carboxamide
CID 9026333
N-[(2-hydroxy-3-methyl-5-nitrophenyl)methylideneamino]pyridine-3-carboxamide
CID 3328921
N-[[3-[(pyridine-3-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]pyridine-3-carboxamide
CID 1379516
bis(N-[(E)-(6-fluoro-2-hydroxyquinolin-3-yl)methylideneamino]pyridine-3-carboxamide);zinc
CID 137242158
N-[(Z)-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]pyridine-3-carboxamide
CID 92851101
N-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 135591232

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]methylideneamino]pyridine-3-carboxamide?
The IUPAC name of N-[(Z)-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]methylideneamino]pyridine-3-carboxamide (CID 9060004) is N-[(Z)-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]methylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for N-[(Z)-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]methylideneamino]pyridine-3-carboxamide?
The canonical SMILES for N-[(Z)-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]methylideneamino]pyridine-3-carboxamide is CCN(CCO)c1ccc(/C=N\NC(=O)c2cccnc2)c(C)c1.
What is the InChIKey of N-[(Z)-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]methylideneamino]pyridine-3-carboxamide?
The InChIKey is NRMNHKHROQDWJX-MOSHPQCFSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-3-22(9-10-23)17-7-6-15(14(2)11-17)13-20-21-18(24)16-5-4-8-19-12-16/h4-8,11-13,23H,3,9-10H2,1-2H3,(H,21,24)/b20-13-.
What are the key properties of N-[(Z)-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]methylideneamino]pyridine-3-carboxamide?
N-[(Z)-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]methylideneamino]pyridine-3-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-[ethyl(2-hydroxyethyl)amino]-2-methylphenyl]methylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 9060004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).