3-(3,5-dichloro-4-pyridinyl)-N-[(3S,4S)-4-methoxyoxolan-3-yl]-N-methylpropanamide

C14H18Cl2N2O3 — CID 167788341

IUPAC3-(3,5-dichloro-4-pyridinyl)-N-[(3S,4S)-4-methoxyoxolan-3-yl]-N-methylpropanamide
SMILESCO[C@@H]1COC[C@@H]1N(C)C(=O)CCc1c(Cl)cncc1Cl
InChIInChI=1S/C14H18Cl2N2O3/c1-18(12-7-21-8-13(12)20-2)14(19)4-3-9-10(15)5-17-6-11(9)16/h5-6,12-13H,3-4,7-8H2,1-2H3/t12-,13+/m0/s1
InChIKeyJBTMFYVIVLJYLX-QWHCGFSZSA-N
MW333.22 g/mol
LogP2.19
Rot. Bonds5

About 3-(3,5-dichloro-4-pyridinyl)-N-[(3S,4S)-4-methoxyoxolan-3-yl]-N-methylpropanamide

3-(3,5-dichloro-4-pyridinyl)-N-[(3S,4S)-4-methoxyoxolan-3-yl]-N-methylpropanamide (PubChem CID 167788341) has the molecular formula C14H18Cl2N2O3 and a molecular weight of 333.22 g/mol. Its IUPAC name is 3-(3,5-dichloro-4-pyridinyl)-N-[(3S,4S)-4-methoxyoxolan-3-yl]-N-methylpropanamide.

Molecular Properties

Compound Name3-(3,5-dichloro-4-pyridinyl)-N-[(3S,4S)-4-methoxyoxolan-3-yl]-N-methylpropanamide
PubChem CID167788341
Molecular FormulaC14H18Cl2N2O3
Molecular Weight333.22 g/mol
Exact Mass332.07
IUPAC Name3-(3,5-dichloro-4-pyridinyl)-N-[(3S,4S)-4-methoxyoxolan-3-yl]-N-methylpropanamide
SMILESCO[C@@H]1COC[C@@H]1N(C)C(=O)CCc1c(Cl)cncc1Cl
InChIInChI=1S/C14H18Cl2N2O3/c1-18(12-7-21-8-13(12)20-2)14(19)4-3-9-10(15)5-17-6-11(9)16/h5-6,12-13H,3-4,7-8H2,1-2H3/t12-,13+/m0/s1
InChIKeyJBTMFYVIVLJYLX-QWHCGFSZSA-N
XLogP2.19
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.22
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichloro-4-pyridinyl)-N-[(3S,4S)-4-methoxyoxolan-3-yl]-N-methylpropanamide?
The IUPAC name of 3-(3,5-dichloro-4-pyridinyl)-N-[(3S,4S)-4-methoxyoxolan-3-yl]-N-methylpropanamide (CID 167788341) is 3-(3,5-dichloro-4-pyridinyl)-N-[(3S,4S)-4-methoxyoxolan-3-yl]-N-methylpropanamide.
What is the SMILES notation for 3-(3,5-dichloro-4-pyridinyl)-N-[(3S,4S)-4-methoxyoxolan-3-yl]-N-methylpropanamide?
The canonical SMILES for 3-(3,5-dichloro-4-pyridinyl)-N-[(3S,4S)-4-methoxyoxolan-3-yl]-N-methylpropanamide is CO[C@@H]1COC[C@@H]1N(C)C(=O)CCc1c(Cl)cncc1Cl.
What is the InChIKey of 3-(3,5-dichloro-4-pyridinyl)-N-[(3S,4S)-4-methoxyoxolan-3-yl]-N-methylpropanamide?
The InChIKey is JBTMFYVIVLJYLX-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H18Cl2N2O3/c1-18(12-7-21-8-13(12)20-2)14(19)4-3-9-10(15)5-17-6-11(9)16/h5-6,12-13H,3-4,7-8H2,1-2H3/t12-,13+/m0/s1.
What are the key properties of 3-(3,5-dichloro-4-pyridinyl)-N-[(3S,4S)-4-methoxyoxolan-3-yl]-N-methylpropanamide?
3-(3,5-dichloro-4-pyridinyl)-N-[(3S,4S)-4-methoxyoxolan-3-yl]-N-methylpropanamide has a molecular weight of 333.22 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichloro-4-pyridinyl)-N-[(3S,4S)-4-methoxyoxolan-3-yl]-N-methylpropanamide is sourced from PubChem (CID 167788341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).