1-acetyl-N-[3-(4,5-diethyl-6-oxo-1H-pyrimidin-2-yl)-4-propoxyphenyl]pyrrolidine-2-carboxamide

C24H32N4O4 — CID 135890169

IUPAC1-acetyl-N-[3-(4,5-diethyl-6-oxo-1H-pyrimidin-2-yl)-4-propoxyphenyl]pyrrolidine-2-carboxamide
SMILESCCCOc1ccc(NC(=O)C2CCCN2C(C)=O)cc1-c1nc(CC)c(CC)c(=O)[nH]1
InChIInChI=1S/C24H32N4O4/c1-5-13-32-21-11-10-16(25-24(31)20-9-8-12-28(20)15(4)29)14-18(21)22-26-19(7-3)17(6-2)23(30)27-22/h10-11,14,20H,5-9,12-13H2,1-4H3,(H,25,31)(H,26,27,30)
InChIKeyJKYNMDOMOBVQSF-UHFFFAOYSA-N
MW440.54 g/mol
LogP3.30
Rot. Bonds8

About 1-acetyl-N-[3-(4,5-diethyl-6-oxo-1H-pyrimidin-2-yl)-4-propoxyphenyl]pyrrolidine-2-carboxamide

1-acetyl-N-[3-(4,5-diethyl-6-oxo-1H-pyrimidin-2-yl)-4-propoxyphenyl]pyrrolidine-2-carboxamide (PubChem CID 135890169) has the molecular formula C24H32N4O4 and a molecular weight of 440.54 g/mol. Its IUPAC name is 1-acetyl-N-[3-(4,5-diethyl-6-oxo-1H-pyrimidin-2-yl)-4-propoxyphenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[3-(4,5-diethyl-6-oxo-1H-pyrimidin-2-yl)-4-propoxyphenyl]pyrrolidine-2-carboxamide
PubChem CID135890169
Molecular FormulaC24H32N4O4
Molecular Weight440.54 g/mol
Exact Mass440.24
IUPAC Name1-acetyl-N-[3-(4,5-diethyl-6-oxo-1H-pyrimidin-2-yl)-4-propoxyphenyl]pyrrolidine-2-carboxamide
SMILESCCCOc1ccc(NC(=O)C2CCCN2C(C)=O)cc1-c1nc(CC)c(CC)c(=O)[nH]1
InChIInChI=1S/C24H32N4O4/c1-5-13-32-21-11-10-16(25-24(31)20-9-8-12-28(20)15(4)29)14-18(21)22-26-19(7-3)17(6-2)23(30)27-22/h10-11,14,20H,5-9,12-13H2,1-4H3,(H,25,31)(H,26,27,30)
InChIKeyJKYNMDOMOBVQSF-UHFFFAOYSA-N
XLogP3.30
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dipropoxyphenyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 43033680
(2S)-N-(3-chloro-4-propoxyphenyl)-1-methylpyrrolidine-2-carboxamide
CID 131937126
4,5-diethyl-2-[5-(1,3,4-oxadiazol-2-yl)-2-propoxyphenyl]-1H-pyrimidin-6-one
CID 135890158
3-(4,5-diethyl-6-oxo-1H-pyrimidin-2-yl)-4-propoxy-N-(2-thiophen-2-ylethyl)benzamide
CID 135858082
5-(carbamoylamino)-2-[[3-(4,5-diethyl-6-oxo-1H-pyrimidin-2-yl)-4-propoxybenzoyl]amino]pentanoic acid
CID 135858101
(2S)-1-acetyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide
CID 784723
2-(4-hydroxypiperidin-1-yl)-N-[3-(4-oxo-3H-[1]benzofuro[3,2-d]pyrimidin-2-yl)-4-propoxyphenyl]acetamide
CID 139668793
N-(3,4-dipropoxyphenyl)-1-methylsulfonylpiperidine-2-carboxamide
CID 55544635
[3-(1,3-dimethyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-4-propoxyphenyl]urea
CID 135503843
(2S)-1-acetyl-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]pyrrolidine-2-carboxamide
CID 51942540
1-acetyl-N-[4-[3-[4-[(1-acetylpyrrolidine-2-carbonyl)amino]phenyl]-1H-pyrazol-5-yl]phenyl]pyrrolidine-2-carboxamide
CID 172736681
2-chloro-N-[3-(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)-4-propoxyphenyl]acetamide
CID 139672515

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[3-(4,5-diethyl-6-oxo-1H-pyrimidin-2-yl)-4-propoxyphenyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-acetyl-N-[3-(4,5-diethyl-6-oxo-1H-pyrimidin-2-yl)-4-propoxyphenyl]pyrrolidine-2-carboxamide (CID 135890169) is 1-acetyl-N-[3-(4,5-diethyl-6-oxo-1H-pyrimidin-2-yl)-4-propoxyphenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-acetyl-N-[3-(4,5-diethyl-6-oxo-1H-pyrimidin-2-yl)-4-propoxyphenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-acetyl-N-[3-(4,5-diethyl-6-oxo-1H-pyrimidin-2-yl)-4-propoxyphenyl]pyrrolidine-2-carboxamide is CCCOc1ccc(NC(=O)C2CCCN2C(C)=O)cc1-c1nc(CC)c(CC)c(=O)[nH]1.
What is the InChIKey of 1-acetyl-N-[3-(4,5-diethyl-6-oxo-1H-pyrimidin-2-yl)-4-propoxyphenyl]pyrrolidine-2-carboxamide?
The InChIKey is JKYNMDOMOBVQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O4/c1-5-13-32-21-11-10-16(25-24(31)20-9-8-12-28(20)15(4)29)14-18(21)22-26-19(7-3)17(6-2)23(30)27-22/h10-11,14,20H,5-9,12-13H2,1-4H3,(H,25,31)(H,26,27,30).
What are the key properties of 1-acetyl-N-[3-(4,5-diethyl-6-oxo-1H-pyrimidin-2-yl)-4-propoxyphenyl]pyrrolidine-2-carboxamide?
1-acetyl-N-[3-(4,5-diethyl-6-oxo-1H-pyrimidin-2-yl)-4-propoxyphenyl]pyrrolidine-2-carboxamide has a molecular weight of 440.54 g/mol, XLogP of 3.30, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[3-(4,5-diethyl-6-oxo-1H-pyrimidin-2-yl)-4-propoxyphenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 135890169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).