(2R)-N-cyclopropyl-4-(3-methylbutanoyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide

C25H31N3O3 — CID 92578984

IUPAC(2R)-N-cyclopropyl-4-(3-methylbutanoyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
SMILESCC(C)CC(=O)N1CCO[C@@](Cc2cccc(-c3cccnc3)c2)(C(=O)NC2CC2)C1
InChIInChI=1S/C25H31N3O3/c1-18(2)13-23(29)28-11-12-31-25(17-28,24(30)27-22-8-9-22)15-19-5-3-6-20(14-19)21-7-4-10-26-16-21/h3-7,10,14,16,18,22H,8-9,11-13,15,17H2,1-2H3,(H,27,30)/t25-/m1/s1
InChIKeyCOOBJWULGMRHIB-RUZDIDTESA-N
MW421.54 g/mol
LogP3.21
Rot. Bonds7

About (2R)-N-cyclopropyl-4-(3-methylbutanoyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide

(2R)-N-cyclopropyl-4-(3-methylbutanoyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide (PubChem CID 92578984) has the molecular formula C25H31N3O3 and a molecular weight of 421.54 g/mol. Its IUPAC name is (2R)-N-cyclopropyl-4-(3-methylbutanoyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-cyclopropyl-4-(3-methylbutanoyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
PubChem CID92578984
Molecular FormulaC25H31N3O3
Molecular Weight421.54 g/mol
Exact Mass421.24
IUPAC Name(2R)-N-cyclopropyl-4-(3-methylbutanoyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
SMILESCC(C)CC(=O)N1CCO[C@@](Cc2cccc(-c3cccnc3)c2)(C(=O)NC2CC2)C1
InChIInChI=1S/C25H31N3O3/c1-18(2)13-23(29)28-11-12-31-25(17-28,24(30)27-22-8-9-22)15-19-5-3-6-20(14-19)21-7-4-10-26-16-21/h3-7,10,14,16,18,22H,8-9,11-13,15,17H2,1-2H3,(H,27,30)/t25-/m1/s1
InChIKeyCOOBJWULGMRHIB-RUZDIDTESA-N
XLogP3.21
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-N-cyclopropyl-4-(3-methylbutanoyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide with MolForge

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Related Compounds

4-(3-methylbutanoyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 110233047
N,N-dimethyl-4-(3-methylbutanoyl)-2-[(4-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 110233305
(2S)-4-(3-methylbutanoyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 92578987
(2R)-N-cyclopropyl-4-(2,2-dimethylpropanoyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 92551794
(2S)-N-cyclopropyl-2-[[3-(3-fluorophenyl)phenyl]methyl]-4-(2-methylpropanoyl)morpholine-2-carboxamide
CID 92553084
(2S)-N-cyclopropyl-4-(2-methoxyacetyl)-2-[[3-(4-methylphenyl)phenyl]methyl]morpholine-2-carboxamide
CID 92558344
4-(3-methylbutanoyl)-2-[(3-phenylphenyl)methyl]morpholine-2-carboxamide
CID 110233107
(2S)-N-methyl-4-(pyridine-2-carbonyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 92610136
(2R)-N-methyl-4-(pyridin-3-ylmethyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 92610179
N-methyl-1-(3-methylbutanoyl)-4-[(3-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 110083907
N-cyclopropyl-4-(2,2-dimethylpropyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 110233032
1-butanoyl-N-cyclopropyl-3-[(3-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110229548

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopropyl-4-(3-methylbutanoyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide?
The IUPAC name of (2R)-N-cyclopropyl-4-(3-methylbutanoyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide (CID 92578984) is (2R)-N-cyclopropyl-4-(3-methylbutanoyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide.
What is the SMILES notation for (2R)-N-cyclopropyl-4-(3-methylbutanoyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide?
The canonical SMILES for (2R)-N-cyclopropyl-4-(3-methylbutanoyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide is CC(C)CC(=O)N1CCO[C@@](Cc2cccc(-c3cccnc3)c2)(C(=O)NC2CC2)C1.
What is the InChIKey of (2R)-N-cyclopropyl-4-(3-methylbutanoyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide?
The InChIKey is COOBJWULGMRHIB-RUZDIDTESA-N. The full InChI is InChI=1S/C25H31N3O3/c1-18(2)13-23(29)28-11-12-31-25(17-28,24(30)27-22-8-9-22)15-19-5-3-6-20(14-19)21-7-4-10-26-16-21/h3-7,10,14,16,18,22H,8-9,11-13,15,17H2,1-2H3,(H,27,30)/t25-/m1/s1.
What are the key properties of (2R)-N-cyclopropyl-4-(3-methylbutanoyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide?
(2R)-N-cyclopropyl-4-(3-methylbutanoyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide has a molecular weight of 421.54 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopropyl-4-(3-methylbutanoyl)-2-[(3-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide is sourced from PubChem (CID 92578984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).