(2S,4S)-N-ethyl-4-[(2-hydroxyacetyl)amino]-1-[(6-methylquinolin-5-yl)methyl]pyrrolidine-2-carboxamide

C20H26N4O3 — CID 72847976

IUPAC(2S,4S)-N-ethyl-4-[(2-hydroxyacetyl)amino]-1-[(6-methylquinolin-5-yl)methyl]pyrrolidine-2-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@H](NC(=O)CO)CN1Cc1c(C)ccc2ncccc12
InChIInChI=1S/C20H26N4O3/c1-3-21-20(27)18-9-14(23-19(26)12-25)10-24(18)11-16-13(2)6-7-17-15(16)5-4-8-22-17/h4-8,14,18,25H,3,9-12H2,1-2H3,(H,21,27)(H,23,26)/t14-,18-/m0/s1
InChIKeySJMOZFNDIVAEDB-KSSFIOAISA-N
MW370.45 g/mol
LogP0.73
Rot. Bonds6

About (2S,4S)-N-ethyl-4-[(2-hydroxyacetyl)amino]-1-[(6-methylquinolin-5-yl)methyl]pyrrolidine-2-carboxamide

(2S,4S)-N-ethyl-4-[(2-hydroxyacetyl)amino]-1-[(6-methylquinolin-5-yl)methyl]pyrrolidine-2-carboxamide (PubChem CID 72847976) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is (2S,4S)-N-ethyl-4-[(2-hydroxyacetyl)amino]-1-[(6-methylquinolin-5-yl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-ethyl-4-[(2-hydroxyacetyl)amino]-1-[(6-methylquinolin-5-yl)methyl]pyrrolidine-2-carboxamide
PubChem CID72847976
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name(2S,4S)-N-ethyl-4-[(2-hydroxyacetyl)amino]-1-[(6-methylquinolin-5-yl)methyl]pyrrolidine-2-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@H](NC(=O)CO)CN1Cc1c(C)ccc2ncccc12
InChIInChI=1S/C20H26N4O3/c1-3-21-20(27)18-9-14(23-19(26)12-25)10-24(18)11-16-13(2)6-7-17-15(16)5-4-8-22-17/h4-8,14,18,25H,3,9-12H2,1-2H3,(H,21,27)(H,23,26)/t14-,18-/m0/s1
InChIKeySJMOZFNDIVAEDB-KSSFIOAISA-N
XLogP0.73
TPSA94.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,4R)-1-[(2-amino-3-pyridinyl)methyl]-N-ethyl-4-[(2-propan-2-yloxyacetyl)amino]pyrrolidine-2-carboxamide
CID 72864213
N-[(3R,5S)-1-[(2-amino-3-pyridinyl)methyl]-5-(ethylcarbamoyl)pyrrolidin-3-yl]-2-methyl-1H-pyrrole-3-carboxamide
CID 72902303
N-[(3S,5S)-5-(ethylcarbamoyl)-1-pent-2-ynylpyrrolidin-3-yl]-3-hydroxypyridine-2-carboxamide
CID 72844793
(2S,4R)-N-ethyl-4-[(3-hydroxy-4-methylbenzoyl)amino]-1-(3-methylbut-2-enyl)pyrrolidine-2-carboxamide
CID 72907895
(2S,4S)-N-ethyl-4-[[5-(hydroxymethyl)furan-2-carbonyl]amino]-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 72871900
(2S,4R)-N-ethyl-4-[[2-(4-hydroxyphenyl)acetyl]amino]-1-(1H-imidazol-2-ylmethyl)pyrrolidine-2-carboxamide
CID 72880480
(2S,4S)-N-ethyl-4-[(5-methylthiophene-3-carbonyl)amino]-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 72842223
N-[(3R,5S)-5-(ethylcarbamoyl)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]-1-methylpyrazole-3-carboxamide
CID 72935005
(2S,4S)-N-ethyl-1-[(2-fluorophenyl)methyl]-4-[(2-methylsulfanylacetyl)amino]pyrrolidine-2-carboxamide
CID 72838677
(2S,4S)-1-[(3,5-dimethylphenyl)methyl]-N-ethyl-4-[[(E)-hex-3-enoyl]amino]pyrrolidine-2-carboxamide
CID 72902813
N-[(3S,5S)-5-(ethylcarbamoyl)-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-yl]-2-methylpyrimidine-5-carboxamide
CID 72933843
N-[(3R,5S)-5-(ethylcarbamoyl)-1-[(3-hydroxyphenyl)methyl]pyrrolidin-3-yl]pyrazine-2-carboxamide
CID 72868430

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-ethyl-4-[(2-hydroxyacetyl)amino]-1-[(6-methylquinolin-5-yl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-N-ethyl-4-[(2-hydroxyacetyl)amino]-1-[(6-methylquinolin-5-yl)methyl]pyrrolidine-2-carboxamide (CID 72847976) is (2S,4S)-N-ethyl-4-[(2-hydroxyacetyl)amino]-1-[(6-methylquinolin-5-yl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-N-ethyl-4-[(2-hydroxyacetyl)amino]-1-[(6-methylquinolin-5-yl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-N-ethyl-4-[(2-hydroxyacetyl)amino]-1-[(6-methylquinolin-5-yl)methyl]pyrrolidine-2-carboxamide is CCNC(=O)[C@@H]1C[C@H](NC(=O)CO)CN1Cc1c(C)ccc2ncccc12.
What is the InChIKey of (2S,4S)-N-ethyl-4-[(2-hydroxyacetyl)amino]-1-[(6-methylquinolin-5-yl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is SJMOZFNDIVAEDB-KSSFIOAISA-N. The full InChI is InChI=1S/C20H26N4O3/c1-3-21-20(27)18-9-14(23-19(26)12-25)10-24(18)11-16-13(2)6-7-17-15(16)5-4-8-22-17/h4-8,14,18,25H,3,9-12H2,1-2H3,(H,21,27)(H,23,26)/t14-,18-/m0/s1.
What are the key properties of (2S,4S)-N-ethyl-4-[(2-hydroxyacetyl)amino]-1-[(6-methylquinolin-5-yl)methyl]pyrrolidine-2-carboxamide?
(2S,4S)-N-ethyl-4-[(2-hydroxyacetyl)amino]-1-[(6-methylquinolin-5-yl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 0.73, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-ethyl-4-[(2-hydroxyacetyl)amino]-1-[(6-methylquinolin-5-yl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 72847976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).