(3S)-N-[[1-[ethyl(methyl)amino]cyclohexyl]methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide

C21H32N4O2 — CID 97196138

IUPAC(3S)-N-[[1-[ethyl(methyl)amino]cyclohexyl]methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
SMILESCCN(C)C1(CNC(=O)[C@H]2CC(=O)N(Cc3cccnc3)C2)CCCCC1
InChIInChI=1S/C21H32N4O2/c1-3-24(2)21(9-5-4-6-10-21)16-23-20(27)18-12-19(26)25(15-18)14-17-8-7-11-22-13-17/h7-8,11,13,18H,3-6,9-10,12,14-16H2,1-2H3,(H,23,27)/t18-/m0/s1
InChIKeyUYXPPBOGGDSDIA-SFHVURJKSA-N
MW372.51 g/mol
LogP2.20
Rot. Bonds7

About (3S)-N-[[1-[ethyl(methyl)amino]cyclohexyl]methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide

(3S)-N-[[1-[ethyl(methyl)amino]cyclohexyl]methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 97196138) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is (3S)-N-[[1-[ethyl(methyl)amino]cyclohexyl]methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[[1-[ethyl(methyl)amino]cyclohexyl]methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID97196138
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC Name(3S)-N-[[1-[ethyl(methyl)amino]cyclohexyl]methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
SMILESCCN(C)C1(CNC(=O)[C@H]2CC(=O)N(Cc3cccnc3)C2)CCCCC1
InChIInChI=1S/C21H32N4O2/c1-3-24(2)21(9-5-4-6-10-21)16-23-20(27)18-12-19(26)25(15-18)14-17-8-7-11-22-13-17/h7-8,11,13,18H,3-6,9-10,12,14-16H2,1-2H3,(H,23,27)/t18-/m0/s1
InChIKeyUYXPPBOGGDSDIA-SFHVURJKSA-N
XLogP2.20
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-N-[[1-[ethyl(methyl)amino]cyclohexyl]methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide with MolForge

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Related Compounds

(3S)-N-(1-carbamoylcycloheptyl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 97275885
N-[2-[4-(dimethylamino)phenyl]ethyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 72864326
(3R)-N-[2-(N-methylanilino)ethyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 97279150
methyl (3R)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxylate
CID 42579837
(3S)-5-oxo-N-(2-pyrazol-1-ylethyl)-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 28786699
(3R)-N-(2-cyclohexylsulfanylethyl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 97280398
N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 72860084
N-(2-benzylsulfanylethyl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 74237202
N-[[1-[ethyl(methyl)amino]cyclohexyl]methyl]-1-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 155491366
N-(4-tert-butylphenyl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 113184031
(3S)-5-oxo-1-(pyridin-3-ylmethyl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 97188890
N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 72886612

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[[1-[ethyl(methyl)amino]cyclohexyl]methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[[1-[ethyl(methyl)amino]cyclohexyl]methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide (CID 97196138) is (3S)-N-[[1-[ethyl(methyl)amino]cyclohexyl]methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[[1-[ethyl(methyl)amino]cyclohexyl]methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[[1-[ethyl(methyl)amino]cyclohexyl]methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide is CCN(C)C1(CNC(=O)[C@H]2CC(=O)N(Cc3cccnc3)C2)CCCCC1.
What is the InChIKey of (3S)-N-[[1-[ethyl(methyl)amino]cyclohexyl]methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is UYXPPBOGGDSDIA-SFHVURJKSA-N. The full InChI is InChI=1S/C21H32N4O2/c1-3-24(2)21(9-5-4-6-10-21)16-23-20(27)18-12-19(26)25(15-18)14-17-8-7-11-22-13-17/h7-8,11,13,18H,3-6,9-10,12,14-16H2,1-2H3,(H,23,27)/t18-/m0/s1.
What are the key properties of (3S)-N-[[1-[ethyl(methyl)amino]cyclohexyl]methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
(3S)-N-[[1-[ethyl(methyl)amino]cyclohexyl]methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 372.51 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[[1-[ethyl(methyl)amino]cyclohexyl]methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 97196138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).