5-(diethylamino)-2-methanimidoylphenol;N-methylpyridine-4-carboxamide

C18H24N4O2 — CID 135641223

IUPAC5-(diethylamino)-2-methanimidoylphenol;N-methylpyridine-4-carboxamide
SMILESCNC(=O)c1ccncc1.[H]/N=C/c1ccc(N(CC)CC)cc1O
InChIInChI=1S/C11H16N2O.C7H8N2O/c1-3-13(4-2)10-6-5-9(8-12)11(14)7-10;1-8-7(10)6-2-4-9-5-3-6/h5-8,12,14H,3-4H2,1-2H3;2-5H,1H3,(H,8,10)/b12-8+;
InChIKeyWWADFSUKEDYTTL-MXZHIVQLSA-N
MW328.42 g/mol
LogP2.68
Rot. Bonds5

About 5-(diethylamino)-2-methanimidoylphenol;N-methylpyridine-4-carboxamide

5-(diethylamino)-2-methanimidoylphenol;N-methylpyridine-4-carboxamide (PubChem CID 135641223) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 5-(diethylamino)-2-methanimidoylphenol;N-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name5-(diethylamino)-2-methanimidoylphenol;N-methylpyridine-4-carboxamide
PubChem CID135641223
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name5-(diethylamino)-2-methanimidoylphenol;N-methylpyridine-4-carboxamide
SMILESCNC(=O)c1ccncc1.[H]/N=C/c1ccc(N(CC)CC)cc1O
InChIInChI=1S/C11H16N2O.C7H8N2O/c1-3-13(4-2)10-6-5-9(8-12)11(14)7-10;1-8-7(10)6-2-4-9-5-3-6/h5-8,12,14H,3-4H2,1-2H3;2-5H,1H3,(H,8,10)/b12-8+;
InChIKeyWWADFSUKEDYTTL-MXZHIVQLSA-N
XLogP2.68
TPSA89.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]pyridine-4-carboxamide;hydrate
CID 139202887
N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-fluorobenzamide
CID 135642474
5-bromo-N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]pyridine-3-carboxamide
CID 135643232
N-[2-[4-(diethylamino)phenyl]benzotriazol-5-yl]pyridine-4-carboxamide
CID 68555772
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3,5-dihydroxybenzamide
CID 135472599
4-(diethylamino)-2-hydroxybenzaldehyde;hydrazine;hydrate
CID 159168735
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-(dimethylamino)benzamide
CID 135982653
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3,5-dimethoxybenzamide
CID 135614851
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-methylsulfonylbenzamide
CID 155812617
N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]pyridine-2-carboxamide
CID 847592
3-acetamido-N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzamide
CID 137122867
2-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide
CID 135710875

Frequently Asked Questions

What is the IUPAC name of 5-(diethylamino)-2-methanimidoylphenol;N-methylpyridine-4-carboxamide?
The IUPAC name of 5-(diethylamino)-2-methanimidoylphenol;N-methylpyridine-4-carboxamide (CID 135641223) is 5-(diethylamino)-2-methanimidoylphenol;N-methylpyridine-4-carboxamide.
What is the SMILES notation for 5-(diethylamino)-2-methanimidoylphenol;N-methylpyridine-4-carboxamide?
The canonical SMILES for 5-(diethylamino)-2-methanimidoylphenol;N-methylpyridine-4-carboxamide is CNC(=O)c1ccncc1.[H]/N=C/c1ccc(N(CC)CC)cc1O.
What is the InChIKey of 5-(diethylamino)-2-methanimidoylphenol;N-methylpyridine-4-carboxamide?
The InChIKey is WWADFSUKEDYTTL-MXZHIVQLSA-N. The full InChI is InChI=1S/C11H16N2O.C7H8N2O/c1-3-13(4-2)10-6-5-9(8-12)11(14)7-10;1-8-7(10)6-2-4-9-5-3-6/h5-8,12,14H,3-4H2,1-2H3;2-5H,1H3,(H,8,10)/b12-8+;.
What are the key properties of 5-(diethylamino)-2-methanimidoylphenol;N-methylpyridine-4-carboxamide?
5-(diethylamino)-2-methanimidoylphenol;N-methylpyridine-4-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.68, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylamino)-2-methanimidoylphenol;N-methylpyridine-4-carboxamide is sourced from PubChem (CID 135641223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).