4-[[4-(dimethylamino)-3-pyridinyl]methylamino]-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one

C18H29N5O2 — CID 167932118

IUPAC4-[[4-(dimethylamino)-3-pyridinyl]methylamino]-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one
SMILESCN(C)c1ccncc1CNC1CC(=O)N(CCN2CCOCC2)C1
InChIInChI=1S/C18H29N5O2/c1-21(2)17-3-4-19-12-15(17)13-20-16-11-18(24)23(14-16)6-5-22-7-9-25-10-8-22/h3-4,12,16,20H,5-11,13-14H2,1-2H3
InChIKeyNQRRQGWOKLIQFL-UHFFFAOYSA-N
MW347.46 g/mol
LogP0.17
Rot. Bonds7

About 4-[[4-(dimethylamino)-3-pyridinyl]methylamino]-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one

4-[[4-(dimethylamino)-3-pyridinyl]methylamino]-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one (PubChem CID 167932118) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 4-[[4-(dimethylamino)-3-pyridinyl]methylamino]-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[[4-(dimethylamino)-3-pyridinyl]methylamino]-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one
PubChem CID167932118
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Name4-[[4-(dimethylamino)-3-pyridinyl]methylamino]-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one
SMILESCN(C)c1ccncc1CNC1CC(=O)N(CCN2CCOCC2)C1
InChIInChI=1S/C18H29N5O2/c1-21(2)17-3-4-19-12-15(17)13-20-16-11-18(24)23(14-16)6-5-22-7-9-25-10-8-22/h3-4,12,16,20H,5-11,13-14H2,1-2H3
InChIKeyNQRRQGWOKLIQFL-UHFFFAOYSA-N
XLogP0.17
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4S)-4-[(2,3-dimethylphenyl)methylamino]-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one
CID 164634851
(4S)-4-(1H-indazol-6-ylmethylamino)-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one
CID 124612429
3-chloro-N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]thiophene-2-carboxamide
CID 132972010
5-fluoro-N-[(3S)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide
CID 124609380
N,N-dimethyl-3-[[[(3S)-3-morpholin-4-ylthiolan-3-yl]methylamino]methyl]pyridin-4-amine
CID 97341942
3-[[[4-[(3-chloro-2-pyridinyl)oxy]cyclohexyl]amino]methyl]-N,N-dimethylpyridin-4-amine
CID 126785748
(3S,4R)-1-ethyl-4-(2-morpholin-4-ylethyl)-3-phenyl-3-pyridin-3-ylpyrrolidin-2-one
CID 95560308
3-[(cyclopropylmethylamino)methyl]-N,N-dimethylpyridin-4-amine
CID 104624549
5-amino-4-methyl-1-(2-morpholin-4-ylethyl)piperidin-2-one
CID 79354825
N'-[3-[(cyclopropylamino)methyl]-4-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine
CID 81248054
2-(cyclopropylmethylamino)-N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]acetamide
CID 119890296
1-amino-N-[1-(2-morpholin-4-ylethyl)-5-oxopyrrolidin-3-yl]cyclopentane-1-carboxamide
CID 119890286

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(dimethylamino)-3-pyridinyl]methylamino]-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one?
The IUPAC name of 4-[[4-(dimethylamino)-3-pyridinyl]methylamino]-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one (CID 167932118) is 4-[[4-(dimethylamino)-3-pyridinyl]methylamino]-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[[4-(dimethylamino)-3-pyridinyl]methylamino]-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one?
The canonical SMILES for 4-[[4-(dimethylamino)-3-pyridinyl]methylamino]-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one is CN(C)c1ccncc1CNC1CC(=O)N(CCN2CCOCC2)C1.
What is the InChIKey of 4-[[4-(dimethylamino)-3-pyridinyl]methylamino]-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one?
The InChIKey is NQRRQGWOKLIQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-21(2)17-3-4-19-12-15(17)13-20-16-11-18(24)23(14-16)6-5-22-7-9-25-10-8-22/h3-4,12,16,20H,5-11,13-14H2,1-2H3.
What are the key properties of 4-[[4-(dimethylamino)-3-pyridinyl]methylamino]-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one?
4-[[4-(dimethylamino)-3-pyridinyl]methylamino]-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one has a molecular weight of 347.46 g/mol, XLogP of 0.17, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(dimethylamino)-3-pyridinyl]methylamino]-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one is sourced from PubChem (CID 167932118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).