N-(4-ethoxyphenyl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide

C23H24N4O2 — CID 53098839

IUPACN-(4-ethoxyphenyl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide
SMILESCCOc1ccc(NC(=O)c2ccc(-c3cc(N4CCCC4)ncn3)cc2)cc1
InChIInChI=1S/C23H24N4O2/c1-2-29-20-11-9-19(10-12-20)26-23(28)18-7-5-17(6-8-18)21-15-22(25-16-24-21)27-13-3-4-14-27/h5-12,15-16H,2-4,13-14H2,1H3,(H,26,28)
InChIKeyDSMOICGPVLEVJW-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.39
Rot. Bonds6

About N-(4-ethoxyphenyl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide

N-(4-ethoxyphenyl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide (PubChem CID 53098839) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide
PubChem CID53098839
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC NameN-(4-ethoxyphenyl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide
SMILESCCOc1ccc(NC(=O)c2ccc(-c3cc(N4CCCC4)ncn3)cc2)cc1
InChIInChI=1S/C23H24N4O2/c1-2-29-20-11-9-19(10-12-20)26-23(28)18-7-5-17(6-8-18)21-15-22(25-16-24-21)27-13-3-4-14-27/h5-12,15-16H,2-4,13-14H2,1H3,(H,26,28)
InChIKeyDSMOICGPVLEVJW-UHFFFAOYSA-N
XLogP4.39
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dimethoxyphenyl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide
CID 53098854
N-(4-chlorophenyl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide
CID 53098855
4-ethoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 41303356
N-(4-bromo-3-methylphenyl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide
CID 53098851
N-(3-chloro-4-methoxyphenyl)-4-(6-piperidin-1-ylpyrimidin-4-yl)benzamide
CID 53098899
cyclopropyl-[4-[6-(4-ethoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 121106815
(4-tert-butylphenyl)-[4-[6-(4-ethoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 121107033
2-(4-ethoxyphenoxy)-1-[4-[6-(4-ethoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 121106901
1-[4-[6-(4-ethoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]-2-ethylbutan-1-one
CID 121106877
N-(4-butylphenyl)-4-(6-morpholin-4-ylpyrimidin-4-yl)benzamide
CID 53098930
ethyl 4-[[1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-4-carbonyl]amino]benzoate
CID 90519480
(4-butoxyphenyl)-[4-[6-(4-ethoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 121106904

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide?
The IUPAC name of N-(4-ethoxyphenyl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide (CID 53098839) is N-(4-ethoxyphenyl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide?
The canonical SMILES for N-(4-ethoxyphenyl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide is CCOc1ccc(NC(=O)c2ccc(-c3cc(N4CCCC4)ncn3)cc2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide?
The InChIKey is DSMOICGPVLEVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-2-29-20-11-9-19(10-12-20)26-23(28)18-7-5-17(6-8-18)21-15-22(25-16-24-21)27-13-3-4-14-27/h5-12,15-16H,2-4,13-14H2,1H3,(H,26,28).
What are the key properties of N-(4-ethoxyphenyl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide?
N-(4-ethoxyphenyl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide has a molecular weight of 388.47 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide is sourced from PubChem (CID 53098839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).