N-[(3-fluorophenyl)methyl]-2-[6-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]-3-pyridinyl]acetamide

C24H26FN5O3 — CID 90310176

IUPACN-[(3-fluorophenyl)methyl]-2-[6-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]-3-pyridinyl]acetamide
SMILESO=C(Cc1ccc(-c2ncc(OCCN3CCOCC3)cn2)nc1)NCc1cccc(F)c1
InChIInChI=1S/C24H26FN5O3/c25-20-3-1-2-18(12-20)15-27-23(31)13-19-4-5-22(26-14-19)24-28-16-21(17-29-24)33-11-8-30-6-9-32-10-7-30/h1-5,12,14,16-17H,6-11,13,15H2,(H,27,31)
InChIKeyNYFNZNHDZGNSIT-UHFFFAOYSA-N
MW451.50 g/mol
LogP2.25
Rot. Bonds9

About N-[(3-fluorophenyl)methyl]-2-[6-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]-3-pyridinyl]acetamide

N-[(3-fluorophenyl)methyl]-2-[6-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]-3-pyridinyl]acetamide (PubChem CID 90310176) has the molecular formula C24H26FN5O3 and a molecular weight of 451.50 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-2-[6-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-2-[6-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]-3-pyridinyl]acetamide
PubChem CID90310176
Molecular FormulaC24H26FN5O3
Molecular Weight451.50 g/mol
Exact Mass451.20
IUPAC NameN-[(3-fluorophenyl)methyl]-2-[6-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]-3-pyridinyl]acetamide
SMILESO=C(Cc1ccc(-c2ncc(OCCN3CCOCC3)cn2)nc1)NCc1cccc(F)c1
InChIInChI=1S/C24H26FN5O3/c25-20-3-1-2-18(12-20)15-27-23(31)13-19-4-5-22(26-14-19)24-28-16-21(17-29-24)33-11-8-30-6-9-32-10-7-30/h1-5,12,14,16-17H,6-11,13,15H2,(H,27,31)
InChIKeyNYFNZNHDZGNSIT-UHFFFAOYSA-N
XLogP2.25
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.50
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-2-[6-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]-3-pyridinyl]acetamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-2-[6-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]-3-pyridinyl]acetamide (CID 90310176) is N-[(3-fluorophenyl)methyl]-2-[6-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]-3-pyridinyl]acetamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-2-[6-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]-3-pyridinyl]acetamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-2-[6-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]-3-pyridinyl]acetamide is O=C(Cc1ccc(-c2ncc(OCCN3CCOCC3)cn2)nc1)NCc1cccc(F)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-2-[6-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]-3-pyridinyl]acetamide?
The InChIKey is NYFNZNHDZGNSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O3/c25-20-3-1-2-18(12-20)15-27-23(31)13-19-4-5-22(26-14-19)24-28-16-21(17-29-24)33-11-8-30-6-9-32-10-7-30/h1-5,12,14,16-17H,6-11,13,15H2,(H,27,31).
What are the key properties of N-[(3-fluorophenyl)methyl]-2-[6-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]-3-pyridinyl]acetamide?
N-[(3-fluorophenyl)methyl]-2-[6-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]-3-pyridinyl]acetamide has a molecular weight of 451.50 g/mol, XLogP of 2.25, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-2-[6-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]-3-pyridinyl]acetamide is sourced from PubChem (CID 90310176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).