N-(4-chloro-6-methylpyrimidin-2-yl)-2-[[2-(3-phenoxyphenyl)acetyl]amino]pentanamide

C24H25ClN4O3 — CID 11178503

IUPACN-(4-chloro-6-methylpyrimidin-2-yl)-2-[[2-(3-phenoxyphenyl)acetyl]amino]pentanamide
SMILESCCCC(NC(=O)Cc1cccc(Oc2ccccc2)c1)C(=O)Nc1nc(C)cc(Cl)n1
InChIInChI=1S/C24H25ClN4O3/c1-3-8-20(23(31)29-24-26-16(2)13-21(25)28-24)27-22(30)15-17-9-7-12-19(14-17)32-18-10-5-4-6-11-18/h4-7,9-14,20H,3,8,15H2,1-2H3,(H,27,30)(H,26,28,29,31)
InChIKeyLCPJKPVBUTWPNJ-UHFFFAOYSA-N
MW452.94 g/mol
LogP4.70
Rot. Bonds9

About N-(4-chloro-6-methylpyrimidin-2-yl)-2-[[2-(3-phenoxyphenyl)acetyl]amino]pentanamide

N-(4-chloro-6-methylpyrimidin-2-yl)-2-[[2-(3-phenoxyphenyl)acetyl]amino]pentanamide (PubChem CID 11178503) has the molecular formula C24H25ClN4O3 and a molecular weight of 452.94 g/mol. Its IUPAC name is N-(4-chloro-6-methylpyrimidin-2-yl)-2-[[2-(3-phenoxyphenyl)acetyl]amino]pentanamide.

Molecular Properties

Compound NameN-(4-chloro-6-methylpyrimidin-2-yl)-2-[[2-(3-phenoxyphenyl)acetyl]amino]pentanamide
PubChem CID11178503
Molecular FormulaC24H25ClN4O3
Molecular Weight452.94 g/mol
Exact Mass452.16
IUPAC NameN-(4-chloro-6-methylpyrimidin-2-yl)-2-[[2-(3-phenoxyphenyl)acetyl]amino]pentanamide
SMILESCCCC(NC(=O)Cc1cccc(Oc2ccccc2)c1)C(=O)Nc1nc(C)cc(Cl)n1
InChIInChI=1S/C24H25ClN4O3/c1-3-8-20(23(31)29-24-26-16(2)13-21(25)28-24)27-22(30)15-17-9-7-12-19(14-17)32-18-10-5-4-6-11-18/h4-7,9-14,20H,3,8,15H2,1-2H3,(H,27,30)(H,26,28,29,31)
InChIKeyLCPJKPVBUTWPNJ-UHFFFAOYSA-N
XLogP4.70
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.94
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-6-methylpyrimidin-2-yl)-2-[[2-(3-phenoxyphenyl)acetyl]amino]pentanamide?
The IUPAC name of N-(4-chloro-6-methylpyrimidin-2-yl)-2-[[2-(3-phenoxyphenyl)acetyl]amino]pentanamide (CID 11178503) is N-(4-chloro-6-methylpyrimidin-2-yl)-2-[[2-(3-phenoxyphenyl)acetyl]amino]pentanamide.
What is the SMILES notation for N-(4-chloro-6-methylpyrimidin-2-yl)-2-[[2-(3-phenoxyphenyl)acetyl]amino]pentanamide?
The canonical SMILES for N-(4-chloro-6-methylpyrimidin-2-yl)-2-[[2-(3-phenoxyphenyl)acetyl]amino]pentanamide is CCCC(NC(=O)Cc1cccc(Oc2ccccc2)c1)C(=O)Nc1nc(C)cc(Cl)n1.
What is the InChIKey of N-(4-chloro-6-methylpyrimidin-2-yl)-2-[[2-(3-phenoxyphenyl)acetyl]amino]pentanamide?
The InChIKey is LCPJKPVBUTWPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN4O3/c1-3-8-20(23(31)29-24-26-16(2)13-21(25)28-24)27-22(30)15-17-9-7-12-19(14-17)32-18-10-5-4-6-11-18/h4-7,9-14,20H,3,8,15H2,1-2H3,(H,27,30)(H,26,28,29,31).
What are the key properties of N-(4-chloro-6-methylpyrimidin-2-yl)-2-[[2-(3-phenoxyphenyl)acetyl]amino]pentanamide?
N-(4-chloro-6-methylpyrimidin-2-yl)-2-[[2-(3-phenoxyphenyl)acetyl]amino]pentanamide has a molecular weight of 452.94 g/mol, XLogP of 4.70, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-6-methylpyrimidin-2-yl)-2-[[2-(3-phenoxyphenyl)acetyl]amino]pentanamide is sourced from PubChem (CID 11178503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).