(3S)-1-[3-(5-phenyl-1H-pyrrol-2-yl)propanoyl]pyrrolidine-3-carboxamide

C18H21N3O2 — CID 94657897

IUPAC(3S)-1-[3-(5-phenyl-1H-pyrrol-2-yl)propanoyl]pyrrolidine-3-carboxamide
SMILESNC(=O)[C@H]1CCN(C(=O)CCc2ccc(-c3ccccc3)[nH]2)C1
InChIInChI=1S/C18H21N3O2/c19-18(23)14-10-11-21(12-14)17(22)9-7-15-6-8-16(20-15)13-4-2-1-3-5-13/h1-6,8,14,20H,7,9-12H2,(H2,19,23)/t14-/m0/s1
InChIKeyFOCXSXJAUUYOOX-AWEZNQCLSA-N
MW311.38 g/mol
LogP1.95
Rot. Bonds5

About (3S)-1-[3-(5-phenyl-1H-pyrrol-2-yl)propanoyl]pyrrolidine-3-carboxamide

(3S)-1-[3-(5-phenyl-1H-pyrrol-2-yl)propanoyl]pyrrolidine-3-carboxamide (PubChem CID 94657897) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is (3S)-1-[3-(5-phenyl-1H-pyrrol-2-yl)propanoyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[3-(5-phenyl-1H-pyrrol-2-yl)propanoyl]pyrrolidine-3-carboxamide
PubChem CID94657897
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name(3S)-1-[3-(5-phenyl-1H-pyrrol-2-yl)propanoyl]pyrrolidine-3-carboxamide
SMILESNC(=O)[C@H]1CCN(C(=O)CCc2ccc(-c3ccccc3)[nH]2)C1
InChIInChI=1S/C18H21N3O2/c19-18(23)14-10-11-21(12-14)17(22)9-7-15-6-8-16(20-15)13-4-2-1-3-5-13/h1-6,8,14,20H,7,9-12H2,(H2,19,23)/t14-/m0/s1
InChIKeyFOCXSXJAUUYOOX-AWEZNQCLSA-N
XLogP1.95
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-(5-phenyl-1H-pyrrol-2-yl)propan-1-one
CID 131962852
1-morpholin-4-yl-3-(5-phenyl-1H-pyrrol-2-yl)propan-1-one
CID 51088025
3-methyl-1-[3-(5-phenyl-1H-pyrrol-2-yl)propanoyl]pyrrolidine-3-carboxylic acid
CID 119256480
[(3R)-3-aminopyrrolidin-1-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone
CID 119411202
1-[1-(3-phenylpropanoyl)azetidin-3-yl]piperidine-4-carboxamide
CID 121153798
cis-(1R,3S)-3-[3-(5-phenyl-1H-pyrrol-2-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 120678122
benzyl (3R)-3-carbamoylpyrrolidine-1-carboxylate
CID 27281872
(3S)-1-[4-(2-phenylethoxy)butanoyl]piperidine-3-carboxamide
CID 95382682
(3S)-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanoyl]piperidine-3-carboxamide
CID 94176966
1-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-(5-phenyl-1H-pyrrol-2-yl)propan-1-one
CID 55910216
(3R)-1-[4-(5-phenyltetrazol-2-yl)butanoyl]piperidine-3-carboxamide
CID 95280291
1-[(3aS,6aS)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-3-[5-(4-chlorophenyl)-1H-pyrrol-2-yl]propan-1-one
CID 70781903

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[3-(5-phenyl-1H-pyrrol-2-yl)propanoyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-[3-(5-phenyl-1H-pyrrol-2-yl)propanoyl]pyrrolidine-3-carboxamide (CID 94657897) is (3S)-1-[3-(5-phenyl-1H-pyrrol-2-yl)propanoyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[3-(5-phenyl-1H-pyrrol-2-yl)propanoyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-[3-(5-phenyl-1H-pyrrol-2-yl)propanoyl]pyrrolidine-3-carboxamide is NC(=O)[C@H]1CCN(C(=O)CCc2ccc(-c3ccccc3)[nH]2)C1.
What is the InChIKey of (3S)-1-[3-(5-phenyl-1H-pyrrol-2-yl)propanoyl]pyrrolidine-3-carboxamide?
The InChIKey is FOCXSXJAUUYOOX-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H21N3O2/c19-18(23)14-10-11-21(12-14)17(22)9-7-15-6-8-16(20-15)13-4-2-1-3-5-13/h1-6,8,14,20H,7,9-12H2,(H2,19,23)/t14-/m0/s1.
What are the key properties of (3S)-1-[3-(5-phenyl-1H-pyrrol-2-yl)propanoyl]pyrrolidine-3-carboxamide?
(3S)-1-[3-(5-phenyl-1H-pyrrol-2-yl)propanoyl]pyrrolidine-3-carboxamide has a molecular weight of 311.38 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[3-(5-phenyl-1H-pyrrol-2-yl)propanoyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 94657897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).