(3R)-N,N-diethyl-1-[(1S,2S)-2-methylcyclopropanecarbonyl]-3-[(3-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide

C26H33N3O2 — CID 92590847

IUPAC(3R)-N,N-diethyl-1-[(1S,2S)-2-methylcyclopropanecarbonyl]-3-[(3-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
SMILESCCN(CC)C(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CCN(C(=O)[C@H]2C[C@@H]2C)C1
InChIInChI=1S/C26H33N3O2/c1-4-28(5-2)25(31)26(11-13-29(18-26)24(30)23-14-19(23)3)16-20-8-6-9-21(15-20)22-10-7-12-27-17-22/h6-10,12,15,17,19,23H,4-5,11,13-14,16,18H2,1-3H3/t19-,23-,26-/m0/s1
InChIKeyJBAWPMBQGBCNBH-CZZAQMAHSA-N
MW419.57 g/mol
LogP4.03
Rot. Bonds7

About (3R)-N,N-diethyl-1-[(1S,2S)-2-methylcyclopropanecarbonyl]-3-[(3-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide

(3R)-N,N-diethyl-1-[(1S,2S)-2-methylcyclopropanecarbonyl]-3-[(3-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide (PubChem CID 92590847) has the molecular formula C26H33N3O2 and a molecular weight of 419.57 g/mol. Its IUPAC name is (3R)-N,N-diethyl-1-[(1S,2S)-2-methylcyclopropanecarbonyl]-3-[(3-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N,N-diethyl-1-[(1S,2S)-2-methylcyclopropanecarbonyl]-3-[(3-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
PubChem CID92590847
Molecular FormulaC26H33N3O2
Molecular Weight419.57 g/mol
Exact Mass419.26
IUPAC Name(3R)-N,N-diethyl-1-[(1S,2S)-2-methylcyclopropanecarbonyl]-3-[(3-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
SMILESCCN(CC)C(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CCN(C(=O)[C@H]2C[C@@H]2C)C1
InChIInChI=1S/C26H33N3O2/c1-4-28(5-2)25(31)26(11-13-29(18-26)24(30)23-14-19(23)3)16-20-8-6-9-21(15-20)22-10-7-12-27-17-22/h6-10,12,15,17,19,23H,4-5,11,13-14,16,18H2,1-3H3/t19-,23-,26-/m0/s1
InChIKeyJBAWPMBQGBCNBH-CZZAQMAHSA-N
XLogP4.03
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-1-(2-methylcyclopropanecarbonyl)-3-[(3-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 110232194
(3R)-N-ethyl-1-[(1S,2S)-2-methylcyclopropanecarbonyl]-3-[(3-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92592232
N,N-diethyl-1-(pyridine-4-carbonyl)-3-[(3-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110229617
(3R)-N,N-diethyl-1-(1-methylpyrazole-3-carbonyl)-3-[(3-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92590867
1-(dimethylsulfamoyl)-N,N-diethyl-3-[(3-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110229566
(3S)-1-(2-ethylbutanoyl)-N,N-dimethyl-3-[(3-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92585891
N-methyl-1-[(1R,2S)-2-methylcyclopropanecarbonyl]-4-[(3-pyrimidin-5-ylphenyl)methyl]piperidine-4-carboxamide
CID 125015982
(3S)-N-ethyl-1-[(1S,2S)-2-methylcyclopropanecarbonyl]-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92591856
(3S)-N-ethyl-1-[2-(3-methylphenyl)acetyl]-3-[(3-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92592305
1-(2,2-dimethylpropanoyl)-N,N-dimethyl-4-[(3-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 110083917
1-butanoyl-N-cyclopropyl-3-[(3-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110229548
1-[2-(3-methylphenyl)acetyl]-4-[(3-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 95805777

Frequently Asked Questions

What is the IUPAC name of (3R)-N,N-diethyl-1-[(1S,2S)-2-methylcyclopropanecarbonyl]-3-[(3-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N,N-diethyl-1-[(1S,2S)-2-methylcyclopropanecarbonyl]-3-[(3-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide (CID 92590847) is (3R)-N,N-diethyl-1-[(1S,2S)-2-methylcyclopropanecarbonyl]-3-[(3-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N,N-diethyl-1-[(1S,2S)-2-methylcyclopropanecarbonyl]-3-[(3-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N,N-diethyl-1-[(1S,2S)-2-methylcyclopropanecarbonyl]-3-[(3-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide is CCN(CC)C(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CCN(C(=O)[C@H]2C[C@@H]2C)C1.
What is the InChIKey of (3R)-N,N-diethyl-1-[(1S,2S)-2-methylcyclopropanecarbonyl]-3-[(3-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is JBAWPMBQGBCNBH-CZZAQMAHSA-N. The full InChI is InChI=1S/C26H33N3O2/c1-4-28(5-2)25(31)26(11-13-29(18-26)24(30)23-14-19(23)3)16-20-8-6-9-21(15-20)22-10-7-12-27-17-22/h6-10,12,15,17,19,23H,4-5,11,13-14,16,18H2,1-3H3/t19-,23-,26-/m0/s1.
What are the key properties of (3R)-N,N-diethyl-1-[(1S,2S)-2-methylcyclopropanecarbonyl]-3-[(3-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide?
(3R)-N,N-diethyl-1-[(1S,2S)-2-methylcyclopropanecarbonyl]-3-[(3-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 419.57 g/mol, XLogP of 4.03, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N,N-diethyl-1-[(1S,2S)-2-methylcyclopropanecarbonyl]-3-[(3-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 92590847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).