N-(4-hydroxy-2-methylphenyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide

C18H22N4O2 — CID 84573364

IUPACN-(4-hydroxy-2-methylphenyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
SMILESCc1cc(O)ccc1NC(=O)c1ccnc(N2CCN(C)CC2)c1
InChIInChI=1S/C18H22N4O2/c1-13-11-15(23)3-4-16(13)20-18(24)14-5-6-19-17(12-14)22-9-7-21(2)8-10-22/h3-6,11-12,23H,7-10H2,1-2H3,(H,20,24)
InChIKeyBRFSKYMGEIQCFG-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.10
Rot. Bonds3

About N-(4-hydroxy-2-methylphenyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide

N-(4-hydroxy-2-methylphenyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide (PubChem CID 84573364) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-(4-hydroxy-2-methylphenyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-methylphenyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
PubChem CID84573364
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-(4-hydroxy-2-methylphenyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
SMILESCc1cc(O)ccc1NC(=O)c1ccnc(N2CCN(C)CC2)c1
InChIInChI=1S/C18H22N4O2/c1-13-11-15(23)3-4-16(13)20-18(24)14-5-6-19-17(12-14)22-9-7-21(2)8-10-22/h3-6,11-12,23H,7-10H2,1-2H3,(H,20,24)
InChIKeyBRFSKYMGEIQCFG-UHFFFAOYSA-N
XLogP2.10
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-hydroxy-2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 84571011
N-[2-(ethylamino)-4-methylphenyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 119047944
N-(4-chloro-2-methylphenyl)-2-(4-ethylpiperazin-1-yl)pyridine-4-carboxamide
CID 109168773
2-(4-methylpiperazin-1-yl)-N-[2-(5-methylpyrazol-1-yl)phenyl]pyridine-4-carboxamide
CID 126780133
2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid
CID 6484238
2-(4-methylpiperazin-1-yl)-N-(2-pyrazol-1-ylphenyl)pyridine-4-carboxamide
CID 126768033
N-(6-amino-3-pyridinyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;dihydrochloride
CID 119516349
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 46979864
2-(azepan-1-yl)-N-(2-bromo-4-methylphenyl)pyridine-4-carboxamide
CID 109176083
N-(1-amino-2-methylpropan-2-yl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 119524654
ethyl 2-(4-methylpiperazin-1-yl)pyridine-4-carboxylate
CID 2762483
N-(4-aminocyclohexyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 119478490

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-methylphenyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide?
The IUPAC name of N-(4-hydroxy-2-methylphenyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide (CID 84573364) is N-(4-hydroxy-2-methylphenyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-(4-hydroxy-2-methylphenyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide?
The canonical SMILES for N-(4-hydroxy-2-methylphenyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide is Cc1cc(O)ccc1NC(=O)c1ccnc(N2CCN(C)CC2)c1.
What is the InChIKey of N-(4-hydroxy-2-methylphenyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide?
The InChIKey is BRFSKYMGEIQCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-13-11-15(23)3-4-16(13)20-18(24)14-5-6-19-17(12-14)22-9-7-21(2)8-10-22/h3-6,11-12,23H,7-10H2,1-2H3,(H,20,24).
What are the key properties of N-(4-hydroxy-2-methylphenyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide?
N-(4-hydroxy-2-methylphenyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-methylphenyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide is sourced from PubChem (CID 84573364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).