N-(2,6-dimethoxy-3-pyridinyl)-3-(hydroxymethyl)-1-(2-propan-2-ylphenyl)cyclobutane-1-carboxamide

C22H28N2O4 — CID 167456140

IUPACN-(2,6-dimethoxy-3-pyridinyl)-3-(hydroxymethyl)-1-(2-propan-2-ylphenyl)cyclobutane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2(c3ccccc3C(C)C)CC(CO)C2)c(OC)n1
InChIInChI=1S/C22H28N2O4/c1-14(2)16-7-5-6-8-17(16)22(11-15(12-22)13-25)21(26)23-18-9-10-19(27-3)24-20(18)28-4/h5-10,14-15,25H,11-13H2,1-4H3,(H,23,26)
InChIKeyQNWUJVORXQSGRB-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.50
Rot. Bonds7

About N-(2,6-dimethoxy-3-pyridinyl)-3-(hydroxymethyl)-1-(2-propan-2-ylphenyl)cyclobutane-1-carboxamide

N-(2,6-dimethoxy-3-pyridinyl)-3-(hydroxymethyl)-1-(2-propan-2-ylphenyl)cyclobutane-1-carboxamide (PubChem CID 167456140) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-(2,6-dimethoxy-3-pyridinyl)-3-(hydroxymethyl)-1-(2-propan-2-ylphenyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethoxy-3-pyridinyl)-3-(hydroxymethyl)-1-(2-propan-2-ylphenyl)cyclobutane-1-carboxamide
PubChem CID167456140
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC NameN-(2,6-dimethoxy-3-pyridinyl)-3-(hydroxymethyl)-1-(2-propan-2-ylphenyl)cyclobutane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2(c3ccccc3C(C)C)CC(CO)C2)c(OC)n1
InChIInChI=1S/C22H28N2O4/c1-14(2)16-7-5-6-8-17(16)22(11-15(12-22)13-25)21(26)23-18-9-10-19(27-3)24-20(18)28-4/h5-10,14-15,25H,11-13H2,1-4H3,(H,23,26)
InChIKeyQNWUJVORXQSGRB-UHFFFAOYSA-N
XLogP3.50
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-amino-2-oxoethyl)-N-[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]-1-(2-propan-2-ylphenyl)cyclobutane-1-carboxamide
CID 175840291
3-[(2,6-dimethoxy-3-pyridinyl)carbamoyl]-3-(2-propan-2-ylphenyl)azetidine-1-carboxylic acid
CID 175090918
tert-butyl 3-[(2,6-dimethoxy-3-pyridinyl)carbamoyl]-3-(2-propan-2-ylphenyl)azetidine-1-carboxylate
CID 146265796
methyl 4-[3-[(2,6-dimethoxy-3-pyridinyl)carbamoyl]-3-(2-propan-2-ylphenyl)azetidin-1-yl]-2,2-dimethyl-4-oxobutanoate
CID 166512734
4-[[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]carbamoyl]-4-(2-propan-2-ylphenyl)cyclohexane-1-sulfinic acid
CID 167456151
1-N-[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]-1-(2-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide
CID 167456210
1-(2,6-dimethoxy-3-pyridinyl)-3-(2-propan-2-ylphenyl)urea
CID 167457260
ethyl 2-[3-[[2-(difluoromethoxy)-6-methyl-3-pyridinyl]carbamoyl]-3-(2-propan-2-ylphenyl)cyclobutyl]acetate
CID 167456389
cyclohexanecarboxylic acid;1-(2,6-dimethoxy-3-pyridinyl)-3-(2-propan-2-ylphenyl)urea
CID 167457259
[3-[[2-(difluoromethoxy)-6-methyl-3-pyridinyl]carbamoyl]-3-(2-propan-2-ylphenyl)cyclobutyl] methanesulfonate
CID 167456277
N-[4-(difluoromethoxy)-6-methoxy-3-pyridinyl]-3-(2-propan-2-ylphenyl)oxetane-3-carboxamide
CID 167456311
N-(4-methoxy-6-propyl-3-pyridinyl)-3-(2-propan-2-ylphenyl)oxetane-3-carboxamide
CID 167456144

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethoxy-3-pyridinyl)-3-(hydroxymethyl)-1-(2-propan-2-ylphenyl)cyclobutane-1-carboxamide?
The IUPAC name of N-(2,6-dimethoxy-3-pyridinyl)-3-(hydroxymethyl)-1-(2-propan-2-ylphenyl)cyclobutane-1-carboxamide (CID 167456140) is N-(2,6-dimethoxy-3-pyridinyl)-3-(hydroxymethyl)-1-(2-propan-2-ylphenyl)cyclobutane-1-carboxamide.
What is the SMILES notation for N-(2,6-dimethoxy-3-pyridinyl)-3-(hydroxymethyl)-1-(2-propan-2-ylphenyl)cyclobutane-1-carboxamide?
The canonical SMILES for N-(2,6-dimethoxy-3-pyridinyl)-3-(hydroxymethyl)-1-(2-propan-2-ylphenyl)cyclobutane-1-carboxamide is COc1ccc(NC(=O)C2(c3ccccc3C(C)C)CC(CO)C2)c(OC)n1.
What is the InChIKey of N-(2,6-dimethoxy-3-pyridinyl)-3-(hydroxymethyl)-1-(2-propan-2-ylphenyl)cyclobutane-1-carboxamide?
The InChIKey is QNWUJVORXQSGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-14(2)16-7-5-6-8-17(16)22(11-15(12-22)13-25)21(26)23-18-9-10-19(27-3)24-20(18)28-4/h5-10,14-15,25H,11-13H2,1-4H3,(H,23,26).
What are the key properties of N-(2,6-dimethoxy-3-pyridinyl)-3-(hydroxymethyl)-1-(2-propan-2-ylphenyl)cyclobutane-1-carboxamide?
N-(2,6-dimethoxy-3-pyridinyl)-3-(hydroxymethyl)-1-(2-propan-2-ylphenyl)cyclobutane-1-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethoxy-3-pyridinyl)-3-(hydroxymethyl)-1-(2-propan-2-ylphenyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 167456140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).