(2S)-1-(cyclopropanecarbonyl)-N-[4-(1H-indol-2-yl)phenyl]pyrrolidine-2-carboxamide

C23H23N3O2 — CID 42241508

IUPAC(2S)-1-(cyclopropanecarbonyl)-N-[4-(1H-indol-2-yl)phenyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(-c2cc3ccccc3[nH]2)cc1)[C@@H]1CCCN1C(=O)C1CC1
InChIInChI=1S/C23H23N3O2/c27-22(21-6-3-13-26(21)23(28)16-7-8-16)24-18-11-9-15(10-12-18)20-14-17-4-1-2-5-19(17)25-20/h1-2,4-5,9-12,14,16,21,25H,3,6-8,13H2,(H,24,27)/t21-/m0/s1
InChIKeyYQNSQSKWZDBJSJ-NRFANRHFSA-N
MW373.46 g/mol
LogP4.17
Rot. Bonds4

About (2S)-1-(cyclopropanecarbonyl)-N-[4-(1H-indol-2-yl)phenyl]pyrrolidine-2-carboxamide

(2S)-1-(cyclopropanecarbonyl)-N-[4-(1H-indol-2-yl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 42241508) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is (2S)-1-(cyclopropanecarbonyl)-N-[4-(1H-indol-2-yl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(cyclopropanecarbonyl)-N-[4-(1H-indol-2-yl)phenyl]pyrrolidine-2-carboxamide
PubChem CID42241508
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name(2S)-1-(cyclopropanecarbonyl)-N-[4-(1H-indol-2-yl)phenyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(-c2cc3ccccc3[nH]2)cc1)[C@@H]1CCCN1C(=O)C1CC1
InChIInChI=1S/C23H23N3O2/c27-22(21-6-3-13-26(21)23(28)16-7-8-16)24-18-11-9-15(10-12-18)20-14-17-4-1-2-5-19(17)25-20/h1-2,4-5,9-12,14,16,21,25H,3,6-8,13H2,(H,24,27)/t21-/m0/s1
InChIKeyYQNSQSKWZDBJSJ-NRFANRHFSA-N
XLogP4.17
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-[3-(1H-indol-2-yl)phenyl]-1-propanoylpyrrolidine-2-carboxamide
CID 26331142
N-[4-(1H-indol-2-yl)phenyl]cyclobutanecarboxamide
CID 20934546
(2S)-N-[3-(1H-indol-2-yl)phenyl]-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide
CID 42239955
N-[4-(1H-indol-2-yl)phenyl]-1-(oxane-2-carbonyl)piperidine-4-carboxamide
CID 45216009
(2S)-1-(2,3-diphenylpropanoyl)-N-[4-[5-[[1-[(2S)-2,3-diphenylpropanoyl]pyrrolidine-2-carbonyl]amino]-1H-indol-2-yl]phenyl]pyrrolidine-2-carboxamide
CID 66833720
N-[4-(1H-indol-2-yl)phenyl]-1-propylpiperidine-4-carboxamide
CID 26324558
(2S)-N-(4-chlorophenyl)-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 110286201
N-(4-anilinophenyl)-1-(cyclopentanecarbonyl)pyrrolidine-2-carboxamide
CID 166197699
(2S)-1-(2-phenylethyl)-N-[4-[5-[[(2S)-1-(2-phenylethyl)pyrrolidine-2-carbonyl]amino]-1H-indol-2-yl]phenyl]pyrrolidine-2-carboxamide
CID 72722491
(3R)-1-(cyclopentanecarbonyl)-N-[3-(1H-indol-2-yl)phenyl]piperidine-3-carboxamide
CID 26401813
[(1R)-2-[(2S)-2-[[2-(4-acetamidophenyl)-1H-indol-5-yl]carbamoyl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]-propan-2-ylcarbamic acid
CID 66833048
(2S)-1-[(2R)-2-(3-methylbutanoylamino)-2-phenylacetyl]-N-[4-[5-[[1-[(2S)-2-(3-methylbutanoylamino)-2-phenylacetyl]pyrrolidine-2-carbonyl]amino]-1H-indol-2-yl]phenyl]pyrrolidine-2-carboxamide
CID 66697414

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(cyclopropanecarbonyl)-N-[4-(1H-indol-2-yl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(cyclopropanecarbonyl)-N-[4-(1H-indol-2-yl)phenyl]pyrrolidine-2-carboxamide (CID 42241508) is (2S)-1-(cyclopropanecarbonyl)-N-[4-(1H-indol-2-yl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(cyclopropanecarbonyl)-N-[4-(1H-indol-2-yl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(cyclopropanecarbonyl)-N-[4-(1H-indol-2-yl)phenyl]pyrrolidine-2-carboxamide is O=C(Nc1ccc(-c2cc3ccccc3[nH]2)cc1)[C@@H]1CCCN1C(=O)C1CC1.
What is the InChIKey of (2S)-1-(cyclopropanecarbonyl)-N-[4-(1H-indol-2-yl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is YQNSQSKWZDBJSJ-NRFANRHFSA-N. The full InChI is InChI=1S/C23H23N3O2/c27-22(21-6-3-13-26(21)23(28)16-7-8-16)24-18-11-9-15(10-12-18)20-14-17-4-1-2-5-19(17)25-20/h1-2,4-5,9-12,14,16,21,25H,3,6-8,13H2,(H,24,27)/t21-/m0/s1.
What are the key properties of (2S)-1-(cyclopropanecarbonyl)-N-[4-(1H-indol-2-yl)phenyl]pyrrolidine-2-carboxamide?
(2S)-1-(cyclopropanecarbonyl)-N-[4-(1H-indol-2-yl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(cyclopropanecarbonyl)-N-[4-(1H-indol-2-yl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 42241508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).