N-[[6-[(2S)-1-(oxane-4-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide

C18H25N3O3 — CID 125019005

IUPACN-[[6-[(2S)-1-(oxane-4-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
SMILESCC(=O)NCc1cccc([C@@H]2CCCN2C(=O)C2CCOCC2)n1
InChIInChI=1S/C18H25N3O3/c1-13(22)19-12-15-4-2-5-16(20-15)17-6-3-9-21(17)18(23)14-7-10-24-11-8-14/h2,4-5,14,17H,3,6-12H2,1H3,(H,19,22)/t17-/m0/s1
InChIKeyXTBFMFJNHKWOJF-KRWDZBQOSA-N
MW331.42 g/mol
LogP1.81
Rot. Bonds4

About N-[[6-[(2S)-1-(oxane-4-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide

N-[[6-[(2S)-1-(oxane-4-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide (PubChem CID 125019005) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[[6-[(2S)-1-(oxane-4-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[6-[(2S)-1-(oxane-4-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
PubChem CID125019005
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC NameN-[[6-[(2S)-1-(oxane-4-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
SMILESCC(=O)NCc1cccc([C@@H]2CCCN2C(=O)C2CCOCC2)n1
InChIInChI=1S/C18H25N3O3/c1-13(22)19-12-15-4-2-5-16(20-15)17-6-3-9-21(17)18(23)14-7-10-24-11-8-14/h2,4-5,14,17H,3,6-12H2,1H3,(H,19,22)/t17-/m0/s1
InChIKeyXTBFMFJNHKWOJF-KRWDZBQOSA-N
XLogP1.81
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[6-[(2S)-1-(oxane-4-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide?
The IUPAC name of N-[[6-[(2S)-1-(oxane-4-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide (CID 125019005) is N-[[6-[(2S)-1-(oxane-4-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide.
What is the SMILES notation for N-[[6-[(2S)-1-(oxane-4-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide?
The canonical SMILES for N-[[6-[(2S)-1-(oxane-4-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide is CC(=O)NCc1cccc([C@@H]2CCCN2C(=O)C2CCOCC2)n1.
What is the InChIKey of N-[[6-[(2S)-1-(oxane-4-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide?
The InChIKey is XTBFMFJNHKWOJF-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-13(22)19-12-15-4-2-5-16(20-15)17-6-3-9-21(17)18(23)14-7-10-24-11-8-14/h2,4-5,14,17H,3,6-12H2,1H3,(H,19,22)/t17-/m0/s1.
What are the key properties of N-[[6-[(2S)-1-(oxane-4-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide?
N-[[6-[(2S)-1-(oxane-4-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide has a molecular weight of 331.42 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(2S)-1-(oxane-4-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide is sourced from PubChem (CID 125019005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).