N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-[2-(difluoromethyl)-4-pyridinyl]phenyl]acetamide

C25H25F2N5O2 — CID 58447903

IUPACN-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-[2-(difluoromethyl)-4-pyridinyl]phenyl]acetamide
SMILESCC(=O)N1CCN(c2ccc(NC(=O)Cc3ccc(-c4ccnc(C(F)F)c4)cc3)nc2)CC1
InChIInChI=1S/C25H25F2N5O2/c1-17(33)31-10-12-32(13-11-31)21-6-7-23(29-16-21)30-24(34)14-18-2-4-19(5-3-18)20-8-9-28-22(15-20)25(26)27/h2-9,15-16,25H,10-14H2,1H3,(H,29,30,34)
InChIKeyNMIPWZANEJWQNF-UHFFFAOYSA-N
MW465.50 g/mol
LogP3.93
Rot. Bonds6

About N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-[2-(difluoromethyl)-4-pyridinyl]phenyl]acetamide

N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-[2-(difluoromethyl)-4-pyridinyl]phenyl]acetamide (PubChem CID 58447903) has the molecular formula C25H25F2N5O2 and a molecular weight of 465.50 g/mol. Its IUPAC name is N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-[2-(difluoromethyl)-4-pyridinyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-[2-(difluoromethyl)-4-pyridinyl]phenyl]acetamide
PubChem CID58447903
Molecular FormulaC25H25F2N5O2
Molecular Weight465.50 g/mol
Exact Mass465.20
IUPAC NameN-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-[2-(difluoromethyl)-4-pyridinyl]phenyl]acetamide
SMILESCC(=O)N1CCN(c2ccc(NC(=O)Cc3ccc(-c4ccnc(C(F)F)c4)cc3)nc2)CC1
InChIInChI=1S/C25H25F2N5O2/c1-17(33)31-10-12-32(13-11-31)21-6-7-23(29-16-21)30-24(34)14-18-2-4-19(5-3-18)20-8-9-28-22(15-20)25(26)27/h2-9,15-16,25H,10-14H2,1H3,(H,29,30,34)
InChIKeyNMIPWZANEJWQNF-UHFFFAOYSA-N
XLogP3.93
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.50
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-[2-(difluoromethyl)-4-pyridinyl]phenyl]acetamide?
The IUPAC name of N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-[2-(difluoromethyl)-4-pyridinyl]phenyl]acetamide (CID 58447903) is N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-[2-(difluoromethyl)-4-pyridinyl]phenyl]acetamide.
What is the SMILES notation for N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-[2-(difluoromethyl)-4-pyridinyl]phenyl]acetamide?
The canonical SMILES for N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-[2-(difluoromethyl)-4-pyridinyl]phenyl]acetamide is CC(=O)N1CCN(c2ccc(NC(=O)Cc3ccc(-c4ccnc(C(F)F)c4)cc3)nc2)CC1.
What is the InChIKey of N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-[2-(difluoromethyl)-4-pyridinyl]phenyl]acetamide?
The InChIKey is NMIPWZANEJWQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F2N5O2/c1-17(33)31-10-12-32(13-11-31)21-6-7-23(29-16-21)30-24(34)14-18-2-4-19(5-3-18)20-8-9-28-22(15-20)25(26)27/h2-9,15-16,25H,10-14H2,1H3,(H,29,30,34).
What are the key properties of N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-[2-(difluoromethyl)-4-pyridinyl]phenyl]acetamide?
N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-[2-(difluoromethyl)-4-pyridinyl]phenyl]acetamide has a molecular weight of 465.50 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-[4-[2-(difluoromethyl)-4-pyridinyl]phenyl]acetamide is sourced from PubChem (CID 58447903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).