3-cyclopropyl-3-hydroxy-N-(6-methoxy-3-pyridinyl)-N-methyl-3-phenylpropanamide

C19H22N2O3 — CID 75433635

IUPAC3-cyclopropyl-3-hydroxy-N-(6-methoxy-3-pyridinyl)-N-methyl-3-phenylpropanamide
SMILESCOc1ccc(N(C)C(=O)CC(O)(c2ccccc2)C2CC2)cn1
InChIInChI=1S/C19H22N2O3/c1-21(16-10-11-17(24-2)20-13-16)18(22)12-19(23,15-8-9-15)14-6-4-3-5-7-14/h3-7,10-11,13,15,23H,8-9,12H2,1-2H3
InChIKeyHSIIKBFQFNJQRA-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.74
Rot. Bonds6

About 3-cyclopropyl-3-hydroxy-N-(6-methoxy-3-pyridinyl)-N-methyl-3-phenylpropanamide

3-cyclopropyl-3-hydroxy-N-(6-methoxy-3-pyridinyl)-N-methyl-3-phenylpropanamide (PubChem CID 75433635) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-cyclopropyl-3-hydroxy-N-(6-methoxy-3-pyridinyl)-N-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name3-cyclopropyl-3-hydroxy-N-(6-methoxy-3-pyridinyl)-N-methyl-3-phenylpropanamide
PubChem CID75433635
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name3-cyclopropyl-3-hydroxy-N-(6-methoxy-3-pyridinyl)-N-methyl-3-phenylpropanamide
SMILESCOc1ccc(N(C)C(=O)CC(O)(c2ccccc2)C2CC2)cn1
InChIInChI=1S/C19H22N2O3/c1-21(16-10-11-17(24-2)20-13-16)18(22)12-19(23,15-8-9-15)14-6-4-3-5-7-14/h3-7,10-11,13,15,23H,8-9,12H2,1-2H3
InChIKeyHSIIKBFQFNJQRA-UHFFFAOYSA-N
XLogP2.74
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-hydroxy-N-(6-methoxy-3-pyridinyl)-N-methyl-3-phenylpropanamide?
The IUPAC name of 3-cyclopropyl-3-hydroxy-N-(6-methoxy-3-pyridinyl)-N-methyl-3-phenylpropanamide (CID 75433635) is 3-cyclopropyl-3-hydroxy-N-(6-methoxy-3-pyridinyl)-N-methyl-3-phenylpropanamide.
What is the SMILES notation for 3-cyclopropyl-3-hydroxy-N-(6-methoxy-3-pyridinyl)-N-methyl-3-phenylpropanamide?
The canonical SMILES for 3-cyclopropyl-3-hydroxy-N-(6-methoxy-3-pyridinyl)-N-methyl-3-phenylpropanamide is COc1ccc(N(C)C(=O)CC(O)(c2ccccc2)C2CC2)cn1.
What is the InChIKey of 3-cyclopropyl-3-hydroxy-N-(6-methoxy-3-pyridinyl)-N-methyl-3-phenylpropanamide?
The InChIKey is HSIIKBFQFNJQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-21(16-10-11-17(24-2)20-13-16)18(22)12-19(23,15-8-9-15)14-6-4-3-5-7-14/h3-7,10-11,13,15,23H,8-9,12H2,1-2H3.
What are the key properties of 3-cyclopropyl-3-hydroxy-N-(6-methoxy-3-pyridinyl)-N-methyl-3-phenylpropanamide?
3-cyclopropyl-3-hydroxy-N-(6-methoxy-3-pyridinyl)-N-methyl-3-phenylpropanamide has a molecular weight of 326.40 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-hydroxy-N-(6-methoxy-3-pyridinyl)-N-methyl-3-phenylpropanamide is sourced from PubChem (CID 75433635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).