N-propan-2-yl-2-(4-propylphenoxy)-N-[(5-pyrimidin-5-yl-3-pyridinyl)methyl]acetamide

C24H28N4O2 — CID 162665412

IUPACN-propan-2-yl-2-(4-propylphenoxy)-N-[(5-pyrimidin-5-yl-3-pyridinyl)methyl]acetamide
SMILESCCCc1ccc(OCC(=O)N(Cc2cncc(-c3cncnc3)c2)C(C)C)cc1
InChIInChI=1S/C24H28N4O2/c1-4-5-19-6-8-23(9-7-19)30-16-24(29)28(18(2)3)15-20-10-21(12-25-11-20)22-13-26-17-27-14-22/h6-14,17-18H,4-5,15-16H2,1-3H3
InChIKeyLAIAPHVHGBEGGH-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.31
Rot. Bonds9

About N-propan-2-yl-2-(4-propylphenoxy)-N-[(5-pyrimidin-5-yl-3-pyridinyl)methyl]acetamide

N-propan-2-yl-2-(4-propylphenoxy)-N-[(5-pyrimidin-5-yl-3-pyridinyl)methyl]acetamide (PubChem CID 162665412) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-propan-2-yl-2-(4-propylphenoxy)-N-[(5-pyrimidin-5-yl-3-pyridinyl)methyl]acetamide.

Molecular Properties

Compound NameN-propan-2-yl-2-(4-propylphenoxy)-N-[(5-pyrimidin-5-yl-3-pyridinyl)methyl]acetamide
PubChem CID162665412
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC NameN-propan-2-yl-2-(4-propylphenoxy)-N-[(5-pyrimidin-5-yl-3-pyridinyl)methyl]acetamide
SMILESCCCc1ccc(OCC(=O)N(Cc2cncc(-c3cncnc3)c2)C(C)C)cc1
InChIInChI=1S/C24H28N4O2/c1-4-5-19-6-8-23(9-7-19)30-16-24(29)28(18(2)3)15-20-10-21(12-25-11-20)22-13-26-17-27-14-22/h6-14,17-18H,4-5,15-16H2,1-3H3
InChIKeyLAIAPHVHGBEGGH-UHFFFAOYSA-N
XLogP4.31
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-(4-propylphenoxy)-N-[(5-pyrimidin-5-yl-3-pyridinyl)methyl]acetamide?
The IUPAC name of N-propan-2-yl-2-(4-propylphenoxy)-N-[(5-pyrimidin-5-yl-3-pyridinyl)methyl]acetamide (CID 162665412) is N-propan-2-yl-2-(4-propylphenoxy)-N-[(5-pyrimidin-5-yl-3-pyridinyl)methyl]acetamide.
What is the SMILES notation for N-propan-2-yl-2-(4-propylphenoxy)-N-[(5-pyrimidin-5-yl-3-pyridinyl)methyl]acetamide?
The canonical SMILES for N-propan-2-yl-2-(4-propylphenoxy)-N-[(5-pyrimidin-5-yl-3-pyridinyl)methyl]acetamide is CCCc1ccc(OCC(=O)N(Cc2cncc(-c3cncnc3)c2)C(C)C)cc1.
What is the InChIKey of N-propan-2-yl-2-(4-propylphenoxy)-N-[(5-pyrimidin-5-yl-3-pyridinyl)methyl]acetamide?
The InChIKey is LAIAPHVHGBEGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-4-5-19-6-8-23(9-7-19)30-16-24(29)28(18(2)3)15-20-10-21(12-25-11-20)22-13-26-17-27-14-22/h6-14,17-18H,4-5,15-16H2,1-3H3.
What are the key properties of N-propan-2-yl-2-(4-propylphenoxy)-N-[(5-pyrimidin-5-yl-3-pyridinyl)methyl]acetamide?
N-propan-2-yl-2-(4-propylphenoxy)-N-[(5-pyrimidin-5-yl-3-pyridinyl)methyl]acetamide has a molecular weight of 404.51 g/mol, XLogP of 4.31, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-(4-propylphenoxy)-N-[(5-pyrimidin-5-yl-3-pyridinyl)methyl]acetamide is sourced from PubChem (CID 162665412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).