N-ethyl-N-(2-morpholin-4-ylethyl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide

C19H28N4O3 — CID 72862596

IUPACN-ethyl-N-(2-morpholin-4-ylethyl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
SMILESCCN(CCN1CCOCC1)C(=O)C1CC(=O)N(Cc2cccnc2)C1
InChIInChI=1S/C19H28N4O3/c1-2-22(7-6-21-8-10-26-11-9-21)19(25)17-12-18(24)23(15-17)14-16-4-3-5-20-13-16/h3-5,13,17H,2,6-12,14-15H2,1H3
InChIKeyKKTSYSHVVIYFCM-UHFFFAOYSA-N
MW360.46 g/mol
LogP0.61
Rot. Bonds7

About N-ethyl-N-(2-morpholin-4-ylethyl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide

N-ethyl-N-(2-morpholin-4-ylethyl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 72862596) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-ethyl-N-(2-morpholin-4-ylethyl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(2-morpholin-4-ylethyl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID72862596
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC NameN-ethyl-N-(2-morpholin-4-ylethyl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
SMILESCCN(CCN1CCOCC1)C(=O)C1CC(=O)N(Cc2cccnc2)C1
InChIInChI=1S/C19H28N4O3/c1-2-22(7-6-21-8-10-26-11-9-21)19(25)17-12-18(24)23(15-17)14-16-4-3-5-20-13-16/h3-5,13,17H,2,6-12,14-15H2,1H3
InChIKeyKKTSYSHVVIYFCM-UHFFFAOYSA-N
XLogP0.61
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 97270943
(4S)-4-(1,4-oxazepane-4-carbonyl)-1-(pyridin-3-ylmethyl)pyrrolidin-2-one
CID 97202475
methyl (3R)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxylate
CID 42579837
N-(oxan-4-yl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 72863497
1-benzyl-5-oxo-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 78792740
1-benzyl-N-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 78770918
N-methyl-N-(1,2-oxazol-3-ylmethyl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 72936014
N-methyl-5-oxo-1-(pyridin-3-ylmethyl)-N-(thian-4-yl)pyrrolidine-3-carboxamide
CID 72873471
N-ethyl-2-[4-[(3S)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carbonyl]piperazin-1-yl]acetamide
CID 97274799
N-cyclopropyl-N-[(1-methylpyrazol-4-yl)methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 72933231
N-[(3aS,6aR)-5-hydroxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-methyl-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 163315974
1-ethyl-4-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 72837378

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-morpholin-4-ylethyl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-ethyl-N-(2-morpholin-4-ylethyl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide (CID 72862596) is N-ethyl-N-(2-morpholin-4-ylethyl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-ethyl-N-(2-morpholin-4-ylethyl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-ethyl-N-(2-morpholin-4-ylethyl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide is CCN(CCN1CCOCC1)C(=O)C1CC(=O)N(Cc2cccnc2)C1.
What is the InChIKey of N-ethyl-N-(2-morpholin-4-ylethyl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is KKTSYSHVVIYFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-2-22(7-6-21-8-10-26-11-9-21)19(25)17-12-18(24)23(15-17)14-16-4-3-5-20-13-16/h3-5,13,17H,2,6-12,14-15H2,1H3.
What are the key properties of N-ethyl-N-(2-morpholin-4-ylethyl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
N-ethyl-N-(2-morpholin-4-ylethyl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 0.61, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-morpholin-4-ylethyl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 72862596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).