(3S)-1-(cyclobutanecarbonyl)-N-ethyl-3-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide

C24H29N3O2 — CID 92592235

IUPAC(3S)-1-(cyclobutanecarbonyl)-N-ethyl-3-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
SMILESCCNC(=O)[C@@]1(Cc2ccc(-c3cccnc3)cc2)CCN(C(=O)C2CCC2)C1
InChIInChI=1S/C24H29N3O2/c1-2-26-23(29)24(12-14-27(17-24)22(28)20-5-3-6-20)15-18-8-10-19(11-9-18)21-7-4-13-25-16-21/h4,7-11,13,16,20H,2-3,5-6,12,14-15,17H2,1H3,(H,26,29)/t24-/m1/s1
InChIKeyYTCUSOYLOWYPAZ-XMMPIXPASA-N
MW391.52 g/mol
LogP3.45
Rot. Bonds6

About (3S)-1-(cyclobutanecarbonyl)-N-ethyl-3-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide

(3S)-1-(cyclobutanecarbonyl)-N-ethyl-3-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide (PubChem CID 92592235) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is (3S)-1-(cyclobutanecarbonyl)-N-ethyl-3-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(cyclobutanecarbonyl)-N-ethyl-3-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
PubChem CID92592235
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name(3S)-1-(cyclobutanecarbonyl)-N-ethyl-3-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
SMILESCCNC(=O)[C@@]1(Cc2ccc(-c3cccnc3)cc2)CCN(C(=O)C2CCC2)C1
InChIInChI=1S/C24H29N3O2/c1-2-26-23(29)24(12-14-27(17-24)22(28)20-5-3-6-20)15-18-8-10-19(11-9-18)21-7-4-13-25-16-21/h4,7-11,13,16,20H,2-3,5-6,12,14-15,17H2,1H3,(H,26,29)/t24-/m1/s1
InChIKeyYTCUSOYLOWYPAZ-XMMPIXPASA-N
XLogP3.45
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(cyclohexanecarbonyl)-N-ethyl-3-[(4-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92591906
1-(2-cyclopentylacetyl)-N-ethyl-3-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110231361
1-(cyclohexanecarbonyl)-N-propan-2-yl-3-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110231368
1-(cyclopentanecarbonyl)-N-ethyl-3-[(3-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 110232207
(3S)-N-ethyl-1-(pyrazine-2-carbonyl)-3-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92592493
1-(cyclobutanecarbonyl)-N-ethyl-3-[(4-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110231239
1-(cyclopentanecarbonyl)-N-ethyl-3-[[4-(2-methoxyphenyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 110231496
(3R)-N-ethyl-1-[(1S,2S)-2-methylcyclopropanecarbonyl]-3-[(3-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92592232
1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetyl]-N-ethyl-3-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110231363
(3S)-1-(cyclopropanecarbonyl)-N-ethyl-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92591832
(3R)-1-(cyclobutanecarbonyl)-N-(2-methylpropyl)-3-[(2-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92579134
1-(cyclopropanecarbonyl)-N-ethyl-3-[[4-(2-methoxyphenyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 110231502

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(cyclobutanecarbonyl)-N-ethyl-3-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(cyclobutanecarbonyl)-N-ethyl-3-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide (CID 92592235) is (3S)-1-(cyclobutanecarbonyl)-N-ethyl-3-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(cyclobutanecarbonyl)-N-ethyl-3-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(cyclobutanecarbonyl)-N-ethyl-3-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide is CCNC(=O)[C@@]1(Cc2ccc(-c3cccnc3)cc2)CCN(C(=O)C2CCC2)C1.
What is the InChIKey of (3S)-1-(cyclobutanecarbonyl)-N-ethyl-3-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is YTCUSOYLOWYPAZ-XMMPIXPASA-N. The full InChI is InChI=1S/C24H29N3O2/c1-2-26-23(29)24(12-14-27(17-24)22(28)20-5-3-6-20)15-18-8-10-19(11-9-18)21-7-4-13-25-16-21/h4,7-11,13,16,20H,2-3,5-6,12,14-15,17H2,1H3,(H,26,29)/t24-/m1/s1.
What are the key properties of (3S)-1-(cyclobutanecarbonyl)-N-ethyl-3-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide?
(3S)-1-(cyclobutanecarbonyl)-N-ethyl-3-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 391.52 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(cyclobutanecarbonyl)-N-ethyl-3-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 92592235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).