(2S)-N-[3-(1H-indol-2-yl)phenyl]-1-propanoylpyrrolidine-2-carboxamide

C22H23N3O2 — CID 26331142

IUPAC(2S)-N-[3-(1H-indol-2-yl)phenyl]-1-propanoylpyrrolidine-2-carboxamide
SMILESCCC(=O)N1CCC[C@H]1C(=O)Nc1cccc(-c2cc3ccccc3[nH]2)c1
InChIInChI=1S/C22H23N3O2/c1-2-21(26)25-12-6-11-20(25)22(27)23-17-9-5-8-15(13-17)19-14-16-7-3-4-10-18(16)24-19/h3-5,7-10,13-14,20,24H,2,6,11-12H2,1H3,(H,23,27)/t20-/m0/s1
InChIKeySOEMPMRKTPVYNP-FQEVSTJZSA-N
MW361.45 g/mol
LogP4.17
Rot. Bonds4

About (2S)-N-[3-(1H-indol-2-yl)phenyl]-1-propanoylpyrrolidine-2-carboxamide

(2S)-N-[3-(1H-indol-2-yl)phenyl]-1-propanoylpyrrolidine-2-carboxamide (PubChem CID 26331142) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is (2S)-N-[3-(1H-indol-2-yl)phenyl]-1-propanoylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[3-(1H-indol-2-yl)phenyl]-1-propanoylpyrrolidine-2-carboxamide
PubChem CID26331142
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name(2S)-N-[3-(1H-indol-2-yl)phenyl]-1-propanoylpyrrolidine-2-carboxamide
SMILESCCC(=O)N1CCC[C@H]1C(=O)Nc1cccc(-c2cc3ccccc3[nH]2)c1
InChIInChI=1S/C22H23N3O2/c1-2-21(26)25-12-6-11-20(25)22(27)23-17-9-5-8-15(13-17)19-14-16-7-3-4-10-18(16)24-19/h3-5,7-10,13-14,20,24H,2,6,11-12H2,1H3,(H,23,27)/t20-/m0/s1
InChIKeySOEMPMRKTPVYNP-FQEVSTJZSA-N
XLogP4.17
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
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-(2-methoxyacetyl)pyrrolidine-2-carboxamide
CID 42239955
(2S)-1-(cyclopropanecarbonyl)-N-[4-(1H-indol-2-yl)phenyl]pyrrolidine-2-carboxamide
CID 42241508
(3R)-N-[3-(1H-indol-2-yl)phenyl]-1-(2-methylsulfanylacetyl)piperidine-3-carboxamide
CID 26318167
N-[3-(1H-indol-2-yl)phenyl]-1-propan-2-ylpiperidine-3-carboxamide
CID 45197737
(3R)-1-(cyclopentanecarbonyl)-N-[3-(1H-indol-2-yl)phenyl]piperidine-3-carboxamide
CID 26401813
N-[3-(1H-indol-2-yl)phenyl]-1-(3,3,3-trifluoropropanoyl)piperidine-3-carboxamide
CID 45243703
methyl 4-[[3-(1H-indol-2-yl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 72859425
(3R)-1-but-2-ynoyl-N-[3-(1H-indol-2-yl)phenyl]piperidine-3-carboxamide
CID 25492836
(3S)-N-[3-(1H-indol-2-yl)phenyl]-1-[(2-methylpyrimidin-5-yl)methyl]piperidine-3-carboxamide
CID 25302072
N-[3-(1H-indol-2-yl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 24817005
N-[3-(1H-indol-2-yl)phenyl]pentanamide
CID 46374998
N-[3-(1H-indol-2-yl)phenyl]-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxamide
CID 45191889

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-(1H-indol-2-yl)phenyl]-1-propanoylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[3-(1H-indol-2-yl)phenyl]-1-propanoylpyrrolidine-2-carboxamide (CID 26331142) is (2S)-N-[3-(1H-indol-2-yl)phenyl]-1-propanoylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[3-(1H-indol-2-yl)phenyl]-1-propanoylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[3-(1H-indol-2-yl)phenyl]-1-propanoylpyrrolidine-2-carboxamide is CCC(=O)N1CCC[C@H]1C(=O)Nc1cccc(-c2cc3ccccc3[nH]2)c1.
What is the InChIKey of (2S)-N-[3-(1H-indol-2-yl)phenyl]-1-propanoylpyrrolidine-2-carboxamide?
The InChIKey is SOEMPMRKTPVYNP-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-2-21(26)25-12-6-11-20(25)22(27)23-17-9-5-8-15(13-17)19-14-16-7-3-4-10-18(16)24-19/h3-5,7-10,13-14,20,24H,2,6,11-12H2,1H3,(H,23,27)/t20-/m0/s1.
What are the key properties of (2S)-N-[3-(1H-indol-2-yl)phenyl]-1-propanoylpyrrolidine-2-carboxamide?
(2S)-N-[3-(1H-indol-2-yl)phenyl]-1-propanoylpyrrolidine-2-carboxamide has a molecular weight of 361.45 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)-N-[3-(1H-indol-2-yl)phenyl]-1-propanoylpyrrolidine-2-carboxamide is sourced from PubChem (CID 26331142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).