2-(2-methoxyphenyl)-N-[1-[2-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]pyrazol-4-yl]acetamide

C23H28N4O3 — CID 42471191

IUPAC2-(2-methoxyphenyl)-N-[1-[2-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]pyrazol-4-yl]acetamide
SMILESC=CC[C@@H]1CC=C[C@@H](C)N1C(=O)Cn1cc(NC(=O)Cc2ccccc2OC)cn1
InChIInChI=1S/C23H28N4O3/c1-4-8-20-11-7-9-17(2)27(20)23(29)16-26-15-19(14-24-26)25-22(28)13-18-10-5-6-12-21(18)30-3/h4-7,9-10,12,14-15,17,20H,1,8,11,13,16H2,2-3H3,(H,25,28)/t17-,20-/m1/s1
InChIKeyBVICBWUKSIRYPL-YLJYHZDGSA-N
MW408.50 g/mol
LogP3.19
Rot. Bonds8

About 2-(2-methoxyphenyl)-N-[1-[2-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]pyrazol-4-yl]acetamide

2-(2-methoxyphenyl)-N-[1-[2-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]pyrazol-4-yl]acetamide (PubChem CID 42471191) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-N-[1-[2-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-N-[1-[2-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]pyrazol-4-yl]acetamide
PubChem CID42471191
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name2-(2-methoxyphenyl)-N-[1-[2-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]pyrazol-4-yl]acetamide
SMILESC=CC[C@@H]1CC=C[C@@H](C)N1C(=O)Cn1cc(NC(=O)Cc2ccccc2OC)cn1
InChIInChI=1S/C23H28N4O3/c1-4-8-20-11-7-9-17(2)27(20)23(29)16-26-15-19(14-24-26)25-22(28)13-18-10-5-6-12-21(18)30-3/h4-7,9-10,12,14-15,17,20H,1,8,11,13,16H2,2-3H3,(H,25,28)/t17-,20-/m1/s1
InChIKeyBVICBWUKSIRYPL-YLJYHZDGSA-N
XLogP3.19
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-N-[1-[2-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]pyrazol-4-yl]acetamide?
The IUPAC name of 2-(2-methoxyphenyl)-N-[1-[2-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]pyrazol-4-yl]acetamide (CID 42471191) is 2-(2-methoxyphenyl)-N-[1-[2-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-(2-methoxyphenyl)-N-[1-[2-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]pyrazol-4-yl]acetamide?
The canonical SMILES for 2-(2-methoxyphenyl)-N-[1-[2-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]pyrazol-4-yl]acetamide is C=CC[C@@H]1CC=C[C@@H](C)N1C(=O)Cn1cc(NC(=O)Cc2ccccc2OC)cn1.
What is the InChIKey of 2-(2-methoxyphenyl)-N-[1-[2-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]pyrazol-4-yl]acetamide?
The InChIKey is BVICBWUKSIRYPL-YLJYHZDGSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-4-8-20-11-7-9-17(2)27(20)23(29)16-26-15-19(14-24-26)25-22(28)13-18-10-5-6-12-21(18)30-3/h4-7,9-10,12,14-15,17,20H,1,8,11,13,16H2,2-3H3,(H,25,28)/t17-,20-/m1/s1.
What are the key properties of 2-(2-methoxyphenyl)-N-[1-[2-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]pyrazol-4-yl]acetamide?
2-(2-methoxyphenyl)-N-[1-[2-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]pyrazol-4-yl]acetamide has a molecular weight of 408.50 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-N-[1-[2-[(2R,6R)-6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]pyrazol-4-yl]acetamide is sourced from PubChem (CID 42471191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).