1-[5-[(3R)-3-[[6-(cyclopropanecarbonyl)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]pyrimidin-2-yl]-N,N-dimethylazetidine-3-carboxamide

C23H26N6O4 — CID 139437027

IUPAC1-[5-[(3R)-3-[[6-(cyclopropanecarbonyl)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]pyrimidin-2-yl]-N,N-dimethylazetidine-3-carboxamide
SMILESCN(C)C(=O)C1CN(c2ncc(N3CC[C@@H](Oc4ccc(C(=O)C5CC5)nc4)C3=O)cn2)C1
InChIInChI=1S/C23H26N6O4/c1-27(2)21(31)15-12-28(13-15)23-25-9-16(10-26-23)29-8-7-19(22(29)32)33-17-5-6-18(24-11-17)20(30)14-3-4-14/h5-6,9-11,14-15,19H,3-4,7-8,12-13H2,1-2H3/t19-/m1/s1
InChIKeyYMZHDTQVAGZICY-LJQANCHMSA-N
MW450.50 g/mol
LogP1.17
Rot. Bonds7

About 1-[5-[(3R)-3-[[6-(cyclopropanecarbonyl)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]pyrimidin-2-yl]-N,N-dimethylazetidine-3-carboxamide

1-[5-[(3R)-3-[[6-(cyclopropanecarbonyl)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]pyrimidin-2-yl]-N,N-dimethylazetidine-3-carboxamide (PubChem CID 139437027) has the molecular formula C23H26N6O4 and a molecular weight of 450.50 g/mol. Its IUPAC name is 1-[5-[(3R)-3-[[6-(cyclopropanecarbonyl)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]pyrimidin-2-yl]-N,N-dimethylazetidine-3-carboxamide.

Molecular Properties

Compound Name1-[5-[(3R)-3-[[6-(cyclopropanecarbonyl)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]pyrimidin-2-yl]-N,N-dimethylazetidine-3-carboxamide
PubChem CID139437027
Molecular FormulaC23H26N6O4
Molecular Weight450.50 g/mol
Exact Mass450.20
IUPAC Name1-[5-[(3R)-3-[[6-(cyclopropanecarbonyl)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]pyrimidin-2-yl]-N,N-dimethylazetidine-3-carboxamide
SMILESCN(C)C(=O)C1CN(c2ncc(N3CC[C@@H](Oc4ccc(C(=O)C5CC5)nc4)C3=O)cn2)C1
InChIInChI=1S/C23H26N6O4/c1-27(2)21(31)15-12-28(13-15)23-25-9-16(10-26-23)29-8-7-19(22(29)32)33-17-5-6-18(24-11-17)20(30)14-3-4-14/h5-6,9-11,14-15,19H,3-4,7-8,12-13H2,1-2H3/t19-/m1/s1
InChIKeyYMZHDTQVAGZICY-LJQANCHMSA-N
XLogP1.17
TPSA108.83 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-[5-[(3R)-3-[4-(4-fluorobenzoyl)phenoxy]-2-oxopyrrolidin-1-yl]pyrimidin-2-yl]-N,N-dimethylazetidine-3-carboxamide
CID 139437082
1-[5-[(3R)-3-[4-(4-fluoro-4-methylpentanoyl)phenoxy]-2-oxopyrrolidin-1-yl]pyrimidin-2-yl]-N,N-dimethylazetidine-3-carboxamide
CID 167004254
(3R)-3-[4-(cyclopropanecarbonyl)phenoxy]-1-[2-(3-methylsulfinylazetidin-1-yl)pyrimidin-5-yl]pyrrolidin-2-one;ethane
CID 142414589
methyl 1-[5-[3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]pyrimidin-2-yl]azetidine-3-carboxylate
CID 135306598
1-[5-[(3R)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-3-fluoro-2-pyridinyl]-N,N-dimethylazetidine-3-carboxamide
CID 139437081
N,N-dimethyl-1-[5-[(3R)-3-[[6-(5-methyl-1,3-thiazol-2-yl)-3-pyridinyl]oxy]pyrrolidin-1-yl]pyrimidin-2-yl]azetidine-3-carboxamide
CID 139437092
(3R)-3-[[6-(2-fluoro-2-methylpropoxy)-3-pyridinyl]oxy]-1-[2-(3-propan-2-ylsulfanylazetidin-1-yl)pyrimidin-5-yl]pyrrolidin-2-one
CID 167004103
(3R)-3-[[6-[(4-methylphenyl)methyl]-3-pyridinyl]oxy]-1-(2-methylpyrimidin-5-yl)pyrrolidin-2-one
CID 167004325
4-[1-[5-[(3R)-3-[[6-(2,2-difluoropropoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]pyrimidin-2-yl]azetidin-3-yl]-1H-1,2,4-triazol-5-one
CID 167004120
1-[5-[(3R)-2-oxo-3-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]oxy]pyrrolidin-1-yl]-2-pyridinyl]azetidine-3-carboxylic acid
CID 135306694
6-[(3R)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-N,N,1-trimethyl-4-oxo-2,3-dihydroquinazoline-2-carboxamide
CID 118425755
N,N-dimethyl-2-[3-[5-[(3R)-2-oxo-3-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]oxy]pyrrolidin-1-yl]pyrimidin-2-yl]cyclobutyl]acetamide
CID 167004104

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(3R)-3-[[6-(cyclopropanecarbonyl)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]pyrimidin-2-yl]-N,N-dimethylazetidine-3-carboxamide?
The IUPAC name of 1-[5-[(3R)-3-[[6-(cyclopropanecarbonyl)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]pyrimidin-2-yl]-N,N-dimethylazetidine-3-carboxamide (CID 139437027) is 1-[5-[(3R)-3-[[6-(cyclopropanecarbonyl)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]pyrimidin-2-yl]-N,N-dimethylazetidine-3-carboxamide.
What is the SMILES notation for 1-[5-[(3R)-3-[[6-(cyclopropanecarbonyl)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]pyrimidin-2-yl]-N,N-dimethylazetidine-3-carboxamide?
The canonical SMILES for 1-[5-[(3R)-3-[[6-(cyclopropanecarbonyl)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]pyrimidin-2-yl]-N,N-dimethylazetidine-3-carboxamide is CN(C)C(=O)C1CN(c2ncc(N3CC[C@@H](Oc4ccc(C(=O)C5CC5)nc4)C3=O)cn2)C1.
What is the InChIKey of 1-[5-[(3R)-3-[[6-(cyclopropanecarbonyl)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]pyrimidin-2-yl]-N,N-dimethylazetidine-3-carboxamide?
The InChIKey is YMZHDTQVAGZICY-LJQANCHMSA-N. The full InChI is InChI=1S/C23H26N6O4/c1-27(2)21(31)15-12-28(13-15)23-25-9-16(10-26-23)29-8-7-19(22(29)32)33-17-5-6-18(24-11-17)20(30)14-3-4-14/h5-6,9-11,14-15,19H,3-4,7-8,12-13H2,1-2H3/t19-/m1/s1.
What are the key properties of 1-[5-[(3R)-3-[[6-(cyclopropanecarbonyl)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]pyrimidin-2-yl]-N,N-dimethylazetidine-3-carboxamide?
1-[5-[(3R)-3-[[6-(cyclopropanecarbonyl)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]pyrimidin-2-yl]-N,N-dimethylazetidine-3-carboxamide has a molecular weight of 450.50 g/mol, XLogP of 1.17, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(3R)-3-[[6-(cyclopropanecarbonyl)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]pyrimidin-2-yl]-N,N-dimethylazetidine-3-carboxamide is sourced from PubChem (CID 139437027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).