3-methyl-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)-2-(2-oxopyrrolidin-1-yl)butanamide

C20H24N4O3 — CID 60619705

IUPAC3-methyl-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)-2-(2-oxopyrrolidin-1-yl)butanamide
SMILESCc1cc(Oc2ncccn2)ccc1NC(=O)C(C(C)C)N1CCCC1=O
InChIInChI=1S/C20H24N4O3/c1-13(2)18(24-11-4-6-17(24)25)19(26)23-16-8-7-15(12-14(16)3)27-20-21-9-5-10-22-20/h5,7-10,12-13,18H,4,6,11H2,1-3H3,(H,23,26)
InChIKeyKFHKPBFMXVKXIO-UHFFFAOYSA-N
MW368.44 g/mol
LogP3.16
Rot. Bonds6

About 3-methyl-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)-2-(2-oxopyrrolidin-1-yl)butanamide

3-methyl-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)-2-(2-oxopyrrolidin-1-yl)butanamide (PubChem CID 60619705) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 3-methyl-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)-2-(2-oxopyrrolidin-1-yl)butanamide.

Molecular Properties

Compound Name3-methyl-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)-2-(2-oxopyrrolidin-1-yl)butanamide
PubChem CID60619705
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name3-methyl-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)-2-(2-oxopyrrolidin-1-yl)butanamide
SMILESCc1cc(Oc2ncccn2)ccc1NC(=O)C(C(C)C)N1CCCC1=O
InChIInChI=1S/C20H24N4O3/c1-13(2)18(24-11-4-6-17(24)25)19(26)23-16-8-7-15(12-14(16)3)27-20-21-9-5-10-22-20/h5,7-10,12-13,18H,4,6,11H2,1-3H3,(H,23,26)
InChIKeyKFHKPBFMXVKXIO-UHFFFAOYSA-N
XLogP3.16
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 47088877
(2R)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 52501367
2-methyl-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)cyclopropane-1-carboxamide
CID 48666589
1-amino-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)cyclopropane-1-carboxamide
CID 119753507
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)benzamide
CID 48666981
3-methyl-2-(2-oxopyrrolidin-1-yl)-N-[1-(4-phenoxyphenyl)ethyl]butanamide
CID 60622068
(2R)-3-methyl-2-(2-oxopyrrolidin-1-yl)-N-(3-prop-2-ynoxyphenyl)butanamide
CID 95616837
1-[(1R)-cyclohex-2-en-1-yl]-3-(2-methyl-4-pyrimidin-2-yloxyphenyl)urea
CID 97224040
(2R)-3-methyl-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-2-(2-oxopyrrolidin-1-yl)butanamide
CID 52813821
(2R)-N-[2-(2,4-dimethoxyphenyl)ethyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 95296556
4-(methylamino)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)butanamide
CID 119753515
4-[(2-methyl-4-pyrimidin-2-yloxyphenyl)carbamoylamino]butanoic acid
CID 122078035

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)-2-(2-oxopyrrolidin-1-yl)butanamide?
The IUPAC name of 3-methyl-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)-2-(2-oxopyrrolidin-1-yl)butanamide (CID 60619705) is 3-methyl-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)-2-(2-oxopyrrolidin-1-yl)butanamide.
What is the SMILES notation for 3-methyl-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)-2-(2-oxopyrrolidin-1-yl)butanamide?
The canonical SMILES for 3-methyl-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)-2-(2-oxopyrrolidin-1-yl)butanamide is Cc1cc(Oc2ncccn2)ccc1NC(=O)C(C(C)C)N1CCCC1=O.
What is the InChIKey of 3-methyl-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)-2-(2-oxopyrrolidin-1-yl)butanamide?
The InChIKey is KFHKPBFMXVKXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-13(2)18(24-11-4-6-17(24)25)19(26)23-16-8-7-15(12-14(16)3)27-20-21-9-5-10-22-20/h5,7-10,12-13,18H,4,6,11H2,1-3H3,(H,23,26).
What are the key properties of 3-methyl-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)-2-(2-oxopyrrolidin-1-yl)butanamide?
3-methyl-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)-2-(2-oxopyrrolidin-1-yl)butanamide has a molecular weight of 368.44 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)-2-(2-oxopyrrolidin-1-yl)butanamide is sourced from PubChem (CID 60619705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).