5-methyl-N-[6-[[(3S)-oxolan-3-yl]methyl]-3-pyridinyl]oxolane-2-carboxamide

C16H22N2O3 — CID 166161188

IUPAC5-methyl-N-[6-[[(3S)-oxolan-3-yl]methyl]-3-pyridinyl]oxolane-2-carboxamide
SMILESCC1CCC(C(=O)Nc2ccc(C[C@H]3CCOC3)nc2)O1
InChIInChI=1S/C16H22N2O3/c1-11-2-5-15(21-11)16(19)18-14-4-3-13(17-9-14)8-12-6-7-20-10-12/h3-4,9,11-12,15H,2,5-8,10H2,1H3,(H,18,19)/t11?,12-,15?/m1/s1
InChIKeyDIPOPJPWVBFFMA-MQYJIDSJSA-N
MW290.36 g/mol
LogP2.17
Rot. Bonds4

About 5-methyl-N-[6-[[(3S)-oxolan-3-yl]methyl]-3-pyridinyl]oxolane-2-carboxamide

5-methyl-N-[6-[[(3S)-oxolan-3-yl]methyl]-3-pyridinyl]oxolane-2-carboxamide (PubChem CID 166161188) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 5-methyl-N-[6-[[(3S)-oxolan-3-yl]methyl]-3-pyridinyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[6-[[(3S)-oxolan-3-yl]methyl]-3-pyridinyl]oxolane-2-carboxamide
PubChem CID166161188
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name5-methyl-N-[6-[[(3S)-oxolan-3-yl]methyl]-3-pyridinyl]oxolane-2-carboxamide
SMILESCC1CCC(C(=O)Nc2ccc(C[C@H]3CCOC3)nc2)O1
InChIInChI=1S/C16H22N2O3/c1-11-2-5-15(21-11)16(19)18-14-4-3-13(17-9-14)8-12-6-7-20-10-12/h3-4,9,11-12,15H,2,5-8,10H2,1H3,(H,18,19)/t11?,12-,15?/m1/s1
InChIKeyDIPOPJPWVBFFMA-MQYJIDSJSA-N
XLogP2.17
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[6-[[(3S)-oxolan-3-yl]methyl]-3-pyridinyl]oxolane-2-carboxamide?
The IUPAC name of 5-methyl-N-[6-[[(3S)-oxolan-3-yl]methyl]-3-pyridinyl]oxolane-2-carboxamide (CID 166161188) is 5-methyl-N-[6-[[(3S)-oxolan-3-yl]methyl]-3-pyridinyl]oxolane-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[6-[[(3S)-oxolan-3-yl]methyl]-3-pyridinyl]oxolane-2-carboxamide?
The canonical SMILES for 5-methyl-N-[6-[[(3S)-oxolan-3-yl]methyl]-3-pyridinyl]oxolane-2-carboxamide is CC1CCC(C(=O)Nc2ccc(C[C@H]3CCOC3)nc2)O1.
What is the InChIKey of 5-methyl-N-[6-[[(3S)-oxolan-3-yl]methyl]-3-pyridinyl]oxolane-2-carboxamide?
The InChIKey is DIPOPJPWVBFFMA-MQYJIDSJSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11-2-5-15(21-11)16(19)18-14-4-3-13(17-9-14)8-12-6-7-20-10-12/h3-4,9,11-12,15H,2,5-8,10H2,1H3,(H,18,19)/t11?,12-,15?/m1/s1.
What are the key properties of 5-methyl-N-[6-[[(3S)-oxolan-3-yl]methyl]-3-pyridinyl]oxolane-2-carboxamide?
5-methyl-N-[6-[[(3S)-oxolan-3-yl]methyl]-3-pyridinyl]oxolane-2-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[6-[[(3S)-oxolan-3-yl]methyl]-3-pyridinyl]oxolane-2-carboxamide is sourced from PubChem (CID 166161188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).