N-(4-hydroxy-2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide

C18H22N4O2 — CID 84571011

IUPACN-(4-hydroxy-2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
SMILESCc1cc(O)ccc1NC(=O)c1ccc(N2CCN(C)CC2)nc1
InChIInChI=1S/C18H22N4O2/c1-13-11-15(23)4-5-16(13)20-18(24)14-3-6-17(19-12-14)22-9-7-21(2)8-10-22/h3-6,11-12,23H,7-10H2,1-2H3,(H,20,24)
InChIKeyZCRZLGYVQMCUCS-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.10
Rot. Bonds3

About N-(4-hydroxy-2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide

N-(4-hydroxy-2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide (PubChem CID 84571011) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-(4-hydroxy-2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
PubChem CID84571011
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-(4-hydroxy-2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
SMILESCc1cc(O)ccc1NC(=O)c1ccc(N2CCN(C)CC2)nc1
InChIInChI=1S/C18H22N4O2/c1-13-11-15(23)4-5-16(13)20-18(24)14-3-6-17(19-12-14)22-9-7-21(2)8-10-22/h3-6,11-12,23H,7-10H2,1-2H3,(H,20,24)
InChIKeyZCRZLGYVQMCUCS-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)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 84573364
N-(4-chloro-2-methylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 34232545
N-(2-methylphenyl)-6-(4-phenylpiperazin-1-yl)pyridine-3-carboxamide
CID 109159582
N-[4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl]-6-(4-methyl-1,4-diazepan-1-yl)pyridine-3-carboxamide
CID 59108390
6-methoxy-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]pyridine-3-carboxamide
CID 18127997
N-[2,6-di(propan-2-yl)phenyl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 109154591
6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(2,4-dimethylphenyl)pyridine-3-carboxamide
CID 37317252
6-(4-methylpiperazin-1-yl)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
CID 109154593
N-(2,3-dimethylphenyl)-6-(4-phenylpiperazin-1-yl)pyridine-3-carboxamide
CID 109159593
6-methoxy-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyridine-3-carboxamide
CID 26126543
6-(4-acetylpiperazin-1-yl)-N-(2,3-dimethylphenyl)pyridine-3-carboxamide
CID 109155117
N-(4-bromo-2-methylphenyl)-6-(3-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 109161724

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-(4-hydroxy-2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide (CID 84571011) is N-(4-hydroxy-2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-hydroxy-2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(4-hydroxy-2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide is Cc1cc(O)ccc1NC(=O)c1ccc(N2CCN(C)CC2)nc1.
What is the InChIKey of N-(4-hydroxy-2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide?
The InChIKey is ZCRZLGYVQMCUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-13-11-15(23)4-5-16(13)20-18(24)14-3-6-17(19-12-14)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)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide?
N-(4-hydroxy-2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-3-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)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 84571011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).