N-[(Z)-[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]pyridine-2-carboxamide

C16H18N4O2 — CID 9015854

IUPACN-[(Z)-[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]pyridine-2-carboxamide
SMILESCN(CCO)c1ccc(/C=N\NC(=O)c2ccccn2)cc1
InChIInChI=1S/C16H18N4O2/c1-20(10-11-21)14-7-5-13(6-8-14)12-18-19-16(22)15-4-2-3-9-17-15/h2-9,12,21H,10-11H2,1H3,(H,19,22)/b18-12-
InChIKeyTUYRQKXDBAQWHI-PDGQHHTCSA-N
MW298.35 g/mol
LogP1.27
Rot. Bonds6

About N-[(Z)-[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]pyridine-2-carboxamide

N-[(Z)-[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]pyridine-2-carboxamide (PubChem CID 9015854) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is N-[(Z)-[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]pyridine-2-carboxamide
PubChem CID9015854
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC NameN-[(Z)-[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]pyridine-2-carboxamide
SMILESCN(CCO)c1ccc(/C=N\NC(=O)c2ccccn2)cc1
InChIInChI=1S/C16H18N4O2/c1-20(10-11-21)14-7-5-13(6-8-14)12-18-19-16(22)15-4-2-3-9-17-15/h2-9,12,21H,10-11H2,1H3,(H,19,22)/b18-12-
InChIKeyTUYRQKXDBAQWHI-PDGQHHTCSA-N
XLogP1.27
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.27
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

2-bromo-N-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]benzamide
CID 4666849
4-N-hydroxy-1-N-[(E)-[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]benzene-1,4-dicarboxamide
CID 44506545
N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]pyridine-2-carboxamide
CID 6879061
N-[(E)-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]amino]pyridine-2-carboxamide
CID 139165605
N-(dimethylaminomethylideneamino)pyridine-2-carboxamide
CID 174940489
N-[(Z)-[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]-4-propan-2-yloxybenzamide
CID 9215811
N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]pyridine-2-carboxamide
CID 44507518
N-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 4618882
N-[3-(N-methylanilino)propyl]pyridine-2-carboxamide
CID 31316694
N-[(E)-(3-hydroxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 6887460
N-[(E)-pyridin-3-ylmethylideneamino]pyridine-2-carboxamide
CID 6870358
N-[(Z)-[4-[2-(dimethylamino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]pyridine-2-carboxamide
CID 9015583

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]pyridine-2-carboxamide?
The IUPAC name of N-[(Z)-[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]pyridine-2-carboxamide (CID 9015854) is N-[(Z)-[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]pyridine-2-carboxamide.
What is the SMILES notation for N-[(Z)-[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]pyridine-2-carboxamide?
The canonical SMILES for N-[(Z)-[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]pyridine-2-carboxamide is CN(CCO)c1ccc(/C=N\NC(=O)c2ccccn2)cc1.
What is the InChIKey of N-[(Z)-[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]pyridine-2-carboxamide?
The InChIKey is TUYRQKXDBAQWHI-PDGQHHTCSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-20(10-11-21)14-7-5-13(6-8-14)12-18-19-16(22)15-4-2-3-9-17-15/h2-9,12,21H,10-11H2,1H3,(H,19,22)/b18-12-.
What are the key properties of N-[(Z)-[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]pyridine-2-carboxamide?
N-[(Z)-[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]pyridine-2-carboxamide has a molecular weight of 298.35 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]pyridine-2-carboxamide is sourced from PubChem (CID 9015854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).