N-[(E)-1-[3-[(dimethylamino)methyl]-2-hydroxyphenyl]ethylideneamino]pyridine-4-carboxamide

C17H20N4O2 — CID 135491418

IUPACN-[(E)-1-[3-[(dimethylamino)methyl]-2-hydroxyphenyl]ethylideneamino]pyridine-4-carboxamide
SMILESC/C(=N\NC(=O)c1ccncc1)c1cccc(CN(C)C)c1O
InChIInChI=1S/C17H20N4O2/c1-12(19-20-17(23)13-7-9-18-10-8-13)15-6-4-5-14(16(15)22)11-21(2)3/h4-10,22H,11H2,1-3H3,(H,20,23)/b19-12+
InChIKeyOUEHAISTLUWCOF-XDHOZWIPSA-N
MW312.37 g/mol
LogP2.00
Rot. Bonds5

About N-[(E)-1-[3-[(dimethylamino)methyl]-2-hydroxyphenyl]ethylideneamino]pyridine-4-carboxamide

N-[(E)-1-[3-[(dimethylamino)methyl]-2-hydroxyphenyl]ethylideneamino]pyridine-4-carboxamide (PubChem CID 135491418) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[(E)-1-[3-[(dimethylamino)methyl]-2-hydroxyphenyl]ethylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-[3-[(dimethylamino)methyl]-2-hydroxyphenyl]ethylideneamino]pyridine-4-carboxamide
PubChem CID135491418
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC NameN-[(E)-1-[3-[(dimethylamino)methyl]-2-hydroxyphenyl]ethylideneamino]pyridine-4-carboxamide
SMILESC/C(=N\NC(=O)c1ccncc1)c1cccc(CN(C)C)c1O
InChIInChI=1S/C17H20N4O2/c1-12(19-20-17(23)13-7-9-18-10-8-13)15-6-4-5-14(16(15)22)11-21(2)3/h4-10,22H,11H2,1-3H3,(H,20,23)/b19-12+
InChIKeyOUEHAISTLUWCOF-XDHOZWIPSA-N
XLogP2.00
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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N'-(4-(diethylamino)-2-hydroxybenzylidene)isonicotinohydrazide
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Flavoteben
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Salicylaldehyde isonicotinoyl hydrazone
CID 10323
2-Hydroxy-1-naphthylaldehyde isonicotinoyl hydrazone
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N'-[(2-hydroxynaphthalen-1-yl)methylidene]pyridine-4-carbohydrazide
CID 4491
4-hydroxy-N'-[(E)-pyridin-3-ylmethylidene]benzohydrazide
CID 6862721
N'-[(E)-(5-chloro-2-hydroxyphenyl)methylidene]pyridine-4-carbohydrazide
CID 135458873
N'-[1-(2-hydroxyphenyl)ethylidene]isonicotinohydrazide
CID 135408522
N'-(2-hydroxy-5-nitrobenzylidene)isonicotinohydrazide
CID 135458874

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-[3-[(dimethylamino)methyl]-2-hydroxyphenyl]ethylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(E)-1-[3-[(dimethylamino)methyl]-2-hydroxyphenyl]ethylideneamino]pyridine-4-carboxamide (CID 135491418) is N-[(E)-1-[3-[(dimethylamino)methyl]-2-hydroxyphenyl]ethylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(E)-1-[3-[(dimethylamino)methyl]-2-hydroxyphenyl]ethylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(E)-1-[3-[(dimethylamino)methyl]-2-hydroxyphenyl]ethylideneamino]pyridine-4-carboxamide is C/C(=N\NC(=O)c1ccncc1)c1cccc(CN(C)C)c1O.
What is the InChIKey of N-[(E)-1-[3-[(dimethylamino)methyl]-2-hydroxyphenyl]ethylideneamino]pyridine-4-carboxamide?
The InChIKey is OUEHAISTLUWCOF-XDHOZWIPSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-12(19-20-17(23)13-7-9-18-10-8-13)15-6-4-5-14(16(15)22)11-21(2)3/h4-10,22H,11H2,1-3H3,(H,20,23)/b19-12+.
What are the key properties of N-[(E)-1-[3-[(dimethylamino)methyl]-2-hydroxyphenyl]ethylideneamino]pyridine-4-carboxamide?
N-[(E)-1-[3-[(dimethylamino)methyl]-2-hydroxyphenyl]ethylideneamino]pyridine-4-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-[3-[(dimethylamino)methyl]-2-hydroxyphenyl]ethylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 135491418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).