(3R)-1-(cyclopropylmethyl)-N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-5-oxopyrrolidine-3-carboxamide

C23H27N3O3 — CID 51950000

IUPAC(3R)-1-(cyclopropylmethyl)-N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(C)c(Oc2ccc(CNC(=O)[C@@H]3CC(=O)N(CC4CC4)C3)cn2)c1
InChIInChI=1S/C23H27N3O3/c1-15-3-4-16(2)20(9-15)29-21-8-7-18(11-24-21)12-25-23(28)19-10-22(27)26(14-19)13-17-5-6-17/h3-4,7-9,11,17,19H,5-6,10,12-14H2,1-2H3,(H,25,28)/t19-/m1/s1
InChIKeyZMVVAIADJDHPQX-LJQANCHMSA-N
MW393.49 g/mol
LogP3.37
Rot. Bonds7

About (3R)-1-(cyclopropylmethyl)-N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-5-oxopyrrolidine-3-carboxamide

(3R)-1-(cyclopropylmethyl)-N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 51950000) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is (3R)-1-(cyclopropylmethyl)-N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(cyclopropylmethyl)-N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID51950000
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name(3R)-1-(cyclopropylmethyl)-N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(C)c(Oc2ccc(CNC(=O)[C@@H]3CC(=O)N(CC4CC4)C3)cn2)c1
InChIInChI=1S/C23H27N3O3/c1-15-3-4-16(2)20(9-15)29-21-8-7-18(11-24-21)12-25-23(28)19-10-22(27)26(14-19)13-17-5-6-17/h3-4,7-9,11,17,19H,5-6,10,12-14H2,1-2H3,(H,25,28)/t19-/m1/s1
InChIKeyZMVVAIADJDHPQX-LJQANCHMSA-N
XLogP3.37
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-1-(cyclopropylmethyl)-N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-5-oxopyrrolidine-3-carboxamide with MolForge

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Related Compounds

(2R)-N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-5-oxopyrrolidine-2-carboxamide
CID 95233356
(3S)-N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-1,1-dioxothiolane-3-carboxamide
CID 51950007
(3S)-1-(cyclopropylmethyl)-N-[6-(4-methylphenoxy)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide
CID 94010269
(3R)-1-(cyclopropylmethyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 95764725
N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55800985
N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-2-(2-oxopyrimidin-1-yl)acetamide
CID 51123369
2-cyano-N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-2-methylpropanamide
CID 60530398
N-[2-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methylamino]-2-oxoethyl]adamantane-1-carboxamide
CID 55713590
N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55800538
3-[[[(3S)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]benzoic acid
CID 97077053
N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 154843635
1-(3,4-dimethoxyphenyl)-5-oxo-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidine-3-carboxamide
CID 55747251

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(cyclopropylmethyl)-N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(cyclopropylmethyl)-N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-5-oxopyrrolidine-3-carboxamide (CID 51950000) is (3R)-1-(cyclopropylmethyl)-N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(cyclopropylmethyl)-N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(cyclopropylmethyl)-N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-5-oxopyrrolidine-3-carboxamide is Cc1ccc(C)c(Oc2ccc(CNC(=O)[C@@H]3CC(=O)N(CC4CC4)C3)cn2)c1.
What is the InChIKey of (3R)-1-(cyclopropylmethyl)-N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ZMVVAIADJDHPQX-LJQANCHMSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-15-3-4-16(2)20(9-15)29-21-8-7-18(11-24-21)12-25-23(28)19-10-22(27)26(14-19)13-17-5-6-17/h3-4,7-9,11,17,19H,5-6,10,12-14H2,1-2H3,(H,25,28)/t19-/m1/s1.
What are the key properties of (3R)-1-(cyclopropylmethyl)-N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-5-oxopyrrolidine-3-carboxamide?
(3R)-1-(cyclopropylmethyl)-N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(cyclopropylmethyl)-N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 51950000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).