N-(1-methyl-2-oxopyrrolidin-3-yl)-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholine-4-carboxamide

C18H26N6O3 — CID 128990958

IUPACN-(1-methyl-2-oxopyrrolidin-3-yl)-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholine-4-carboxamide
SMILESCN1CCC(NC(=O)N2CCOC(c3ccnc(N4CCCC4)n3)C2)C1=O
InChIInChI=1S/C18H26N6O3/c1-22-9-5-14(16(22)25)21-18(26)24-10-11-27-15(12-24)13-4-6-19-17(20-13)23-7-2-3-8-23/h4,6,14-15H,2-3,5,7-12H2,1H3,(H,21,26)
InChIKeyLHUWMXAGVCLSCU-UHFFFAOYSA-N
MW374.45 g/mol
LogP0.39
Rot. Bonds3

About N-(1-methyl-2-oxopyrrolidin-3-yl)-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholine-4-carboxamide

N-(1-methyl-2-oxopyrrolidin-3-yl)-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholine-4-carboxamide (PubChem CID 128990958) has the molecular formula C18H26N6O3 and a molecular weight of 374.45 g/mol. Its IUPAC name is N-(1-methyl-2-oxopyrrolidin-3-yl)-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(1-methyl-2-oxopyrrolidin-3-yl)-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholine-4-carboxamide
PubChem CID128990958
Molecular FormulaC18H26N6O3
Molecular Weight374.45 g/mol
Exact Mass374.21
IUPAC NameN-(1-methyl-2-oxopyrrolidin-3-yl)-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholine-4-carboxamide
SMILESCN1CCC(NC(=O)N2CCOC(c3ccnc(N4CCCC4)n3)C2)C1=O
InChIInChI=1S/C18H26N6O3/c1-22-9-5-14(16(22)25)21-18(26)24-10-11-27-15(12-24)13-4-6-19-17(20-13)23-7-2-3-8-23/h4,6,14-15H,2-3,5,7-12H2,1H3,(H,21,26)
InChIKeyLHUWMXAGVCLSCU-UHFFFAOYSA-N
XLogP0.39
TPSA90.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-(1,5-dimethylpyrazol-3-yl)-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholine-4-carboxamide
CID 129341515
(5-methyl-1,2-oxazol-3-yl)-[(2S)-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-4-yl]methanone
CID 129334104
[(1R,2R)-2-cyclopropylcyclopropyl]-[(2R)-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-4-yl]methanone
CID 129338509
4-methyl-2-[2-oxo-2-[2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-4-yl]ethyl]-1,2,4-triazol-3-one
CID 128995763
(5-propan-2-yl-1H-pyrazol-3-yl)-[(2R)-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-4-yl]methanone
CID 129331728
(2R)-1-[(2S)-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-4-yl]-2-thiophen-2-ylpropan-1-one
CID 129340939
6-methyl-4-[2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholine-4-carbonyl]-1H-pyrimidin-2-one
CID 128993964
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholine-4-carboxamide
CID 128992772
3-[2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholine-4-carbonyl]benzonitrile
CID 128974450
1-benzofuran-3-yl-[2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-4-yl]methanone
CID 128967255
(2S)-N-[(1R)-1-cyclobutylethyl]-2-[2-(dimethylamino)pyrimidin-4-yl]morpholine-4-carboxamide
CID 129492360
[2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(2-pyrrolidin-1-yl-4-pyridinyl)methanone
CID 110115860

Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-2-oxopyrrolidin-3-yl)-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholine-4-carboxamide?
The IUPAC name of N-(1-methyl-2-oxopyrrolidin-3-yl)-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholine-4-carboxamide (CID 128990958) is N-(1-methyl-2-oxopyrrolidin-3-yl)-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholine-4-carboxamide.
What is the SMILES notation for N-(1-methyl-2-oxopyrrolidin-3-yl)-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholine-4-carboxamide?
The canonical SMILES for N-(1-methyl-2-oxopyrrolidin-3-yl)-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholine-4-carboxamide is CN1CCC(NC(=O)N2CCOC(c3ccnc(N4CCCC4)n3)C2)C1=O.
What is the InChIKey of N-(1-methyl-2-oxopyrrolidin-3-yl)-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholine-4-carboxamide?
The InChIKey is LHUWMXAGVCLSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O3/c1-22-9-5-14(16(22)25)21-18(26)24-10-11-27-15(12-24)13-4-6-19-17(20-13)23-7-2-3-8-23/h4,6,14-15H,2-3,5,7-12H2,1H3,(H,21,26).
What are the key properties of N-(1-methyl-2-oxopyrrolidin-3-yl)-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholine-4-carboxamide?
N-(1-methyl-2-oxopyrrolidin-3-yl)-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholine-4-carboxamide has a molecular weight of 374.45 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-2-oxopyrrolidin-3-yl)-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholine-4-carboxamide is sourced from PubChem (CID 128990958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).