(3R)-1-(1-methyl-6-oxopyridine-3-carbonyl)-N-(2-phenylethyl)pyrrolidine-3-carboxamide

C20H23N3O3 — CID 92633580

IUPAC(3R)-1-(1-methyl-6-oxopyridine-3-carbonyl)-N-(2-phenylethyl)pyrrolidine-3-carboxamide
SMILESCn1cc(C(=O)N2CC[C@@H](C(=O)NCCc3ccccc3)C2)ccc1=O
InChIInChI=1S/C20H23N3O3/c1-22-13-17(7-8-18(22)24)20(26)23-12-10-16(14-23)19(25)21-11-9-15-5-3-2-4-6-15/h2-8,13,16H,9-12,14H2,1H3,(H,21,25)/t16-/m1/s1
InChIKeyYGSSGDWCEYDWHY-MRXNPFEDSA-N
MW353.42 g/mol
LogP1.21
Rot. Bonds5

About (3R)-1-(1-methyl-6-oxopyridine-3-carbonyl)-N-(2-phenylethyl)pyrrolidine-3-carboxamide

(3R)-1-(1-methyl-6-oxopyridine-3-carbonyl)-N-(2-phenylethyl)pyrrolidine-3-carboxamide (PubChem CID 92633580) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is (3R)-1-(1-methyl-6-oxopyridine-3-carbonyl)-N-(2-phenylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(1-methyl-6-oxopyridine-3-carbonyl)-N-(2-phenylethyl)pyrrolidine-3-carboxamide
PubChem CID92633580
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name(3R)-1-(1-methyl-6-oxopyridine-3-carbonyl)-N-(2-phenylethyl)pyrrolidine-3-carboxamide
SMILESCn1cc(C(=O)N2CC[C@@H](C(=O)NCCc3ccccc3)C2)ccc1=O
InChIInChI=1S/C20H23N3O3/c1-22-13-17(7-8-18(22)24)20(26)23-12-10-16(14-23)19(25)21-11-9-15-5-3-2-4-6-15/h2-8,13,16H,9-12,14H2,1H3,(H,21,25)/t16-/m1/s1
InChIKeyYGSSGDWCEYDWHY-MRXNPFEDSA-N
XLogP1.21
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromobenzoyl)-N-(2-phenylethyl)piperidine-4-carboxamide
CID 27670954
(3R)-1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 92633558
(2S)-4-(1-methyl-6-oxopyridine-3-carbonyl)-1-(2-phenylethyl)piperazine-2-carboxamide
CID 124953550
1-methyl-5-[(2R)-2-(2-phenylethyl)piperidine-1-carbonyl]pyridin-2-one
CID 97084725
(3S)-1-(1,5-dimethylindole-2-carbonyl)-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 92633380
(3S)-1-(3-chlorobenzoyl)-N-(2-phenylethyl)piperidine-3-carboxamide
CID 94082169
N-benzyl-1-(3-fluoro-4-methylbenzoyl)pyrrolidine-3-carboxamide
CID 154842062
1-(2,2-dimethylpropanoyl)-N-(2-phenylethyl)piperidine-3-carboxamide
CID 47984523
4-(3-methylpiperidine-1-carbonyl)-N-(2-phenylethyl)benzamide
CID 109047837
N-[2-(4-fluorophenyl)ethyl]-1-methylpyrrolidine-3-carboxamide
CID 110852538
(3R)-1-(3,5-dimethylbenzoyl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 94010780
N-methyl-1-(1-methyl-6-oxopyridine-3-carbonyl)-4-(2-phenylethyl)piperazine-2-carboxamide
CID 175657649

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(1-methyl-6-oxopyridine-3-carbonyl)-N-(2-phenylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(1-methyl-6-oxopyridine-3-carbonyl)-N-(2-phenylethyl)pyrrolidine-3-carboxamide (CID 92633580) is (3R)-1-(1-methyl-6-oxopyridine-3-carbonyl)-N-(2-phenylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(1-methyl-6-oxopyridine-3-carbonyl)-N-(2-phenylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(1-methyl-6-oxopyridine-3-carbonyl)-N-(2-phenylethyl)pyrrolidine-3-carboxamide is Cn1cc(C(=O)N2CC[C@@H](C(=O)NCCc3ccccc3)C2)ccc1=O.
What is the InChIKey of (3R)-1-(1-methyl-6-oxopyridine-3-carbonyl)-N-(2-phenylethyl)pyrrolidine-3-carboxamide?
The InChIKey is YGSSGDWCEYDWHY-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-22-13-17(7-8-18(22)24)20(26)23-12-10-16(14-23)19(25)21-11-9-15-5-3-2-4-6-15/h2-8,13,16H,9-12,14H2,1H3,(H,21,25)/t16-/m1/s1.
What are the key properties of (3R)-1-(1-methyl-6-oxopyridine-3-carbonyl)-N-(2-phenylethyl)pyrrolidine-3-carboxamide?
(3R)-1-(1-methyl-6-oxopyridine-3-carbonyl)-N-(2-phenylethyl)pyrrolidine-3-carboxamide has a molecular weight of 353.42 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(1-methyl-6-oxopyridine-3-carbonyl)-N-(2-phenylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 92633580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).