N-[2-methyl-1-[(3-methyl-2-pyridinyl)oxy]propan-2-yl]-2-[(2R)-1-methylpyrrolidin-2-yl]acetamide

C17H27N3O2 — CID 166072035

IUPACN-[2-methyl-1-[(3-methyl-2-pyridinyl)oxy]propan-2-yl]-2-[(2R)-1-methylpyrrolidin-2-yl]acetamide
SMILESCc1cccnc1OCC(C)(C)NC(=O)C[C@H]1CCCN1C
InChIInChI=1S/C17H27N3O2/c1-13-7-5-9-18-16(13)22-12-17(2,3)19-15(21)11-14-8-6-10-20(14)4/h5,7,9,14H,6,8,10-12H2,1-4H3,(H,19,21)/t14-/m1/s1
InChIKeyGWNRWIFTLOVHFT-CQSZACIVSA-N
MW305.42 g/mol
LogP2.15
Rot. Bonds6

About N-[2-methyl-1-[(3-methyl-2-pyridinyl)oxy]propan-2-yl]-2-[(2R)-1-methylpyrrolidin-2-yl]acetamide

N-[2-methyl-1-[(3-methyl-2-pyridinyl)oxy]propan-2-yl]-2-[(2R)-1-methylpyrrolidin-2-yl]acetamide (PubChem CID 166072035) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-[2-methyl-1-[(3-methyl-2-pyridinyl)oxy]propan-2-yl]-2-[(2R)-1-methylpyrrolidin-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-methyl-1-[(3-methyl-2-pyridinyl)oxy]propan-2-yl]-2-[(2R)-1-methylpyrrolidin-2-yl]acetamide
PubChem CID166072035
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC NameN-[2-methyl-1-[(3-methyl-2-pyridinyl)oxy]propan-2-yl]-2-[(2R)-1-methylpyrrolidin-2-yl]acetamide
SMILESCc1cccnc1OCC(C)(C)NC(=O)C[C@H]1CCCN1C
InChIInChI=1S/C17H27N3O2/c1-13-7-5-9-18-16(13)22-12-17(2,3)19-15(21)11-14-8-6-10-20(14)4/h5,7,9,14H,6,8,10-12H2,1-4H3,(H,19,21)/t14-/m1/s1
InChIKeyGWNRWIFTLOVHFT-CQSZACIVSA-N
XLogP2.15
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-[(3-methyl-2-pyridinyl)oxy]propan-2-yl]-2-[(2R)-1-methylpyrrolidin-2-yl]acetamide?
The IUPAC name of N-[2-methyl-1-[(3-methyl-2-pyridinyl)oxy]propan-2-yl]-2-[(2R)-1-methylpyrrolidin-2-yl]acetamide (CID 166072035) is N-[2-methyl-1-[(3-methyl-2-pyridinyl)oxy]propan-2-yl]-2-[(2R)-1-methylpyrrolidin-2-yl]acetamide.
What is the SMILES notation for N-[2-methyl-1-[(3-methyl-2-pyridinyl)oxy]propan-2-yl]-2-[(2R)-1-methylpyrrolidin-2-yl]acetamide?
The canonical SMILES for N-[2-methyl-1-[(3-methyl-2-pyridinyl)oxy]propan-2-yl]-2-[(2R)-1-methylpyrrolidin-2-yl]acetamide is Cc1cccnc1OCC(C)(C)NC(=O)C[C@H]1CCCN1C.
What is the InChIKey of N-[2-methyl-1-[(3-methyl-2-pyridinyl)oxy]propan-2-yl]-2-[(2R)-1-methylpyrrolidin-2-yl]acetamide?
The InChIKey is GWNRWIFTLOVHFT-CQSZACIVSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-13-7-5-9-18-16(13)22-12-17(2,3)19-15(21)11-14-8-6-10-20(14)4/h5,7,9,14H,6,8,10-12H2,1-4H3,(H,19,21)/t14-/m1/s1.
What are the key properties of N-[2-methyl-1-[(3-methyl-2-pyridinyl)oxy]propan-2-yl]-2-[(2R)-1-methylpyrrolidin-2-yl]acetamide?
N-[2-methyl-1-[(3-methyl-2-pyridinyl)oxy]propan-2-yl]-2-[(2R)-1-methylpyrrolidin-2-yl]acetamide has a molecular weight of 305.42 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-[(3-methyl-2-pyridinyl)oxy]propan-2-yl]-2-[(2R)-1-methylpyrrolidin-2-yl]acetamide is sourced from PubChem (CID 166072035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).