N-[4-(4,4-dimethylcyclohexyl)oxyphenyl]-3-hydroxy-4-methoxypyridine-2-carboxamide

C21H26N2O4 — CID 129104491

IUPACN-[4-(4,4-dimethylcyclohexyl)oxyphenyl]-3-hydroxy-4-methoxypyridine-2-carboxamide
SMILESCOc1ccnc(C(=O)Nc2ccc(OC3CCC(C)(C)CC3)cc2)c1O
InChIInChI=1S/C21H26N2O4/c1-21(2)11-8-16(9-12-21)27-15-6-4-14(5-7-15)23-20(25)18-19(24)17(26-3)10-13-22-18/h4-7,10,13,16,24H,8-9,11-12H2,1-3H3,(H,23,25)
InChIKeyUZYONAAGTRYJQL-UHFFFAOYSA-N
MW370.45 g/mol
LogP4.40
Rot. Bonds5

About N-[4-(4,4-dimethylcyclohexyl)oxyphenyl]-3-hydroxy-4-methoxypyridine-2-carboxamide

N-[4-(4,4-dimethylcyclohexyl)oxyphenyl]-3-hydroxy-4-methoxypyridine-2-carboxamide (PubChem CID 129104491) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[4-(4,4-dimethylcyclohexyl)oxyphenyl]-3-hydroxy-4-methoxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4,4-dimethylcyclohexyl)oxyphenyl]-3-hydroxy-4-methoxypyridine-2-carboxamide
PubChem CID129104491
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC NameN-[4-(4,4-dimethylcyclohexyl)oxyphenyl]-3-hydroxy-4-methoxypyridine-2-carboxamide
SMILESCOc1ccnc(C(=O)Nc2ccc(OC3CCC(C)(C)CC3)cc2)c1O
InChIInChI=1S/C21H26N2O4/c1-21(2)11-8-16(9-12-21)27-15-6-4-14(5-7-15)23-20(25)18-19(24)17(26-3)10-13-22-18/h4-7,10,13,16,24H,8-9,11-12H2,1-3H3,(H,23,25)
InChIKeyUZYONAAGTRYJQL-UHFFFAOYSA-N
XLogP4.40
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 18681912
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CID 21088897
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CID 142045894
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CID 23566950
3-hydroxy-4-methoxy-N-pyridin-2-ylpyridine-2-carboxamide
CID 21088884
3-hydroxy-4-methoxy-N-propan-2-ylpyridine-2-carboxamide
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2,6-dimethoxy-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]benzamide
CID 99970957

Frequently Asked Questions

What is the IUPAC name of N-[4-(4,4-dimethylcyclohexyl)oxyphenyl]-3-hydroxy-4-methoxypyridine-2-carboxamide?
The IUPAC name of N-[4-(4,4-dimethylcyclohexyl)oxyphenyl]-3-hydroxy-4-methoxypyridine-2-carboxamide (CID 129104491) is N-[4-(4,4-dimethylcyclohexyl)oxyphenyl]-3-hydroxy-4-methoxypyridine-2-carboxamide.
What is the SMILES notation for N-[4-(4,4-dimethylcyclohexyl)oxyphenyl]-3-hydroxy-4-methoxypyridine-2-carboxamide?
The canonical SMILES for N-[4-(4,4-dimethylcyclohexyl)oxyphenyl]-3-hydroxy-4-methoxypyridine-2-carboxamide is COc1ccnc(C(=O)Nc2ccc(OC3CCC(C)(C)CC3)cc2)c1O.
What is the InChIKey of N-[4-(4,4-dimethylcyclohexyl)oxyphenyl]-3-hydroxy-4-methoxypyridine-2-carboxamide?
The InChIKey is UZYONAAGTRYJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-21(2)11-8-16(9-12-21)27-15-6-4-14(5-7-15)23-20(25)18-19(24)17(26-3)10-13-22-18/h4-7,10,13,16,24H,8-9,11-12H2,1-3H3,(H,23,25).
What are the key properties of N-[4-(4,4-dimethylcyclohexyl)oxyphenyl]-3-hydroxy-4-methoxypyridine-2-carboxamide?
N-[4-(4,4-dimethylcyclohexyl)oxyphenyl]-3-hydroxy-4-methoxypyridine-2-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 4.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,4-dimethylcyclohexyl)oxyphenyl]-3-hydroxy-4-methoxypyridine-2-carboxamide is sourced from PubChem (CID 129104491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).