N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-2-(6-methyl-3-pyridinyl)acetamide

C19H25N3O2 — CID 95277737

IUPACN-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-2-(6-methyl-3-pyridinyl)acetamide
SMILESCc1ccc(CC(=O)NC[C@@H](c2ccc(C)o2)N2CCCC2)cn1
InChIInChI=1S/C19H25N3O2/c1-14-5-7-16(12-20-14)11-19(23)21-13-17(22-9-3-4-10-22)18-8-6-15(2)24-18/h5-8,12,17H,3-4,9-11,13H2,1-2H3,(H,21,23)/t17-/m0/s1
InChIKeyAIICBGOQJOHKQY-KRWDZBQOSA-N
MW327.43 g/mol
LogP2.79
Rot. Bonds6

About N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-2-(6-methyl-3-pyridinyl)acetamide

N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-2-(6-methyl-3-pyridinyl)acetamide (PubChem CID 95277737) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-2-(6-methyl-3-pyridinyl)acetamide.

Molecular Properties

Compound NameN-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-2-(6-methyl-3-pyridinyl)acetamide
PubChem CID95277737
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC NameN-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-2-(6-methyl-3-pyridinyl)acetamide
SMILESCc1ccc(CC(=O)NC[C@@H](c2ccc(C)o2)N2CCCC2)cn1
InChIInChI=1S/C19H25N3O2/c1-14-5-7-16(12-20-14)11-19(23)21-13-17(22-9-3-4-10-22)18-8-6-15(2)24-18/h5-8,12,17H,3-4,9-11,13H2,1-2H3,(H,21,23)/t17-/m0/s1
InChIKeyAIICBGOQJOHKQY-KRWDZBQOSA-N
XLogP2.79
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-2-(6-methyl-3-pyridinyl)acetamide?
The IUPAC name of N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-2-(6-methyl-3-pyridinyl)acetamide (CID 95277737) is N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-2-(6-methyl-3-pyridinyl)acetamide.
What is the SMILES notation for N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-2-(6-methyl-3-pyridinyl)acetamide?
The canonical SMILES for N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-2-(6-methyl-3-pyridinyl)acetamide is Cc1ccc(CC(=O)NC[C@@H](c2ccc(C)o2)N2CCCC2)cn1.
What is the InChIKey of N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-2-(6-methyl-3-pyridinyl)acetamide?
The InChIKey is AIICBGOQJOHKQY-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-14-5-7-16(12-20-14)11-19(23)21-13-17(22-9-3-4-10-22)18-8-6-15(2)24-18/h5-8,12,17H,3-4,9-11,13H2,1-2H3,(H,21,23)/t17-/m0/s1.
What are the key properties of N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-2-(6-methyl-3-pyridinyl)acetamide?
N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-2-(6-methyl-3-pyridinyl)acetamide has a molecular weight of 327.43 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-2-(6-methyl-3-pyridinyl)acetamide is sourced from PubChem (CID 95277737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).