N-(2,2-dimethylpropyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]-4-methoxy-N-(6-methyl-2-pyridinyl)benzamide

C26H37N3O3 — CID 121294566

IUPACN-(2,2-dimethylpropyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]-4-methoxy-N-(6-methyl-2-pyridinyl)benzamide
SMILESCOc1ccc(C(=O)N(CC(C)(C)C)c2cccc(C)n2)c(N2CCC(C(C)O)CC2)c1
InChIInChI=1S/C26H37N3O3/c1-18-8-7-9-24(27-18)29(17-26(3,4)5)25(31)22-11-10-21(32-6)16-23(22)28-14-12-20(13-15-28)19(2)30/h7-11,16,19-20,30H,12-15,17H2,1-6H3
InChIKeyPUROTIRNAAALAT-UHFFFAOYSA-N
MW439.60 g/mol
LogP4.69
Rot. Bonds6

About N-(2,2-dimethylpropyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]-4-methoxy-N-(6-methyl-2-pyridinyl)benzamide

N-(2,2-dimethylpropyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]-4-methoxy-N-(6-methyl-2-pyridinyl)benzamide (PubChem CID 121294566) has the molecular formula C26H37N3O3 and a molecular weight of 439.60 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]-4-methoxy-N-(6-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]-4-methoxy-N-(6-methyl-2-pyridinyl)benzamide
PubChem CID121294566
Molecular FormulaC26H37N3O3
Molecular Weight439.60 g/mol
Exact Mass439.28
IUPAC NameN-(2,2-dimethylpropyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]-4-methoxy-N-(6-methyl-2-pyridinyl)benzamide
SMILESCOc1ccc(C(=O)N(CC(C)(C)C)c2cccc(C)n2)c(N2CCC(C(C)O)CC2)c1
InChIInChI=1S/C26H37N3O3/c1-18-8-7-9-24(27-18)29(17-26(3,4)5)25(31)22-11-10-21(32-6)16-23(22)28-14-12-20(13-15-28)19(2)30/h7-11,16,19-20,30H,12-15,17H2,1-6H3
InChIKeyPUROTIRNAAALAT-UHFFFAOYSA-N
XLogP4.69
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.60
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]-4-methoxy-N-(6-methyl-2-pyridinyl)benzamide?
The IUPAC name of N-(2,2-dimethylpropyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]-4-methoxy-N-(6-methyl-2-pyridinyl)benzamide (CID 121294566) is N-(2,2-dimethylpropyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]-4-methoxy-N-(6-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]-4-methoxy-N-(6-methyl-2-pyridinyl)benzamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]-4-methoxy-N-(6-methyl-2-pyridinyl)benzamide is COc1ccc(C(=O)N(CC(C)(C)C)c2cccc(C)n2)c(N2CCC(C(C)O)CC2)c1.
What is the InChIKey of N-(2,2-dimethylpropyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]-4-methoxy-N-(6-methyl-2-pyridinyl)benzamide?
The InChIKey is PUROTIRNAAALAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O3/c1-18-8-7-9-24(27-18)29(17-26(3,4)5)25(31)22-11-10-21(32-6)16-23(22)28-14-12-20(13-15-28)19(2)30/h7-11,16,19-20,30H,12-15,17H2,1-6H3.
What are the key properties of N-(2,2-dimethylpropyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]-4-methoxy-N-(6-methyl-2-pyridinyl)benzamide?
N-(2,2-dimethylpropyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]-4-methoxy-N-(6-methyl-2-pyridinyl)benzamide has a molecular weight of 439.60 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]-4-methoxy-N-(6-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 121294566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).