2-[4-(3-aminopropyl)-6-methyl-2-pyridinyl]-2-(2,6-difluorophenyl)acetamide

C17H19F2N3O — CID 21061453

IUPAC2-[4-(3-aminopropyl)-6-methyl-2-pyridinyl]-2-(2,6-difluorophenyl)acetamide
SMILESCc1cc(CCCN)cc(C(C(N)=O)c2c(F)cccc2F)n1
InChIInChI=1S/C17H19F2N3O/c1-10-8-11(4-3-7-20)9-14(22-10)16(17(21)23)15-12(18)5-2-6-13(15)19/h2,5-6,8-9,16H,3-4,7,20H2,1H3,(H2,21,23)
InChIKeyUSUIADPTVIXIPR-UHFFFAOYSA-N
MW319.36 g/mol
LogP2.18
Rot. Bonds6

About 2-[4-(3-aminopropyl)-6-methyl-2-pyridinyl]-2-(2,6-difluorophenyl)acetamide

2-[4-(3-aminopropyl)-6-methyl-2-pyridinyl]-2-(2,6-difluorophenyl)acetamide (PubChem CID 21061453) has the molecular formula C17H19F2N3O and a molecular weight of 319.36 g/mol. Its IUPAC name is 2-[4-(3-aminopropyl)-6-methyl-2-pyridinyl]-2-(2,6-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(3-aminopropyl)-6-methyl-2-pyridinyl]-2-(2,6-difluorophenyl)acetamide
PubChem CID21061453
Molecular FormulaC17H19F2N3O
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Name2-[4-(3-aminopropyl)-6-methyl-2-pyridinyl]-2-(2,6-difluorophenyl)acetamide
SMILESCc1cc(CCCN)cc(C(C(N)=O)c2c(F)cccc2F)n1
InChIInChI=1S/C17H19F2N3O/c1-10-8-11(4-3-7-20)9-14(22-10)16(17(21)23)15-12(18)5-2-6-13(15)19/h2,5-6,8-9,16H,3-4,7,20H2,1H3,(H2,21,23)
InChIKeyUSUIADPTVIXIPR-UHFFFAOYSA-N
XLogP2.18
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-aminopropyl)-6-methyl-2-pyridinyl]-2-(2,6-difluorophenyl)acetamide?
The IUPAC name of 2-[4-(3-aminopropyl)-6-methyl-2-pyridinyl]-2-(2,6-difluorophenyl)acetamide (CID 21061453) is 2-[4-(3-aminopropyl)-6-methyl-2-pyridinyl]-2-(2,6-difluorophenyl)acetamide.
What is the SMILES notation for 2-[4-(3-aminopropyl)-6-methyl-2-pyridinyl]-2-(2,6-difluorophenyl)acetamide?
The canonical SMILES for 2-[4-(3-aminopropyl)-6-methyl-2-pyridinyl]-2-(2,6-difluorophenyl)acetamide is Cc1cc(CCCN)cc(C(C(N)=O)c2c(F)cccc2F)n1.
What is the InChIKey of 2-[4-(3-aminopropyl)-6-methyl-2-pyridinyl]-2-(2,6-difluorophenyl)acetamide?
The InChIKey is USUIADPTVIXIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O/c1-10-8-11(4-3-7-20)9-14(22-10)16(17(21)23)15-12(18)5-2-6-13(15)19/h2,5-6,8-9,16H,3-4,7,20H2,1H3,(H2,21,23).
What are the key properties of 2-[4-(3-aminopropyl)-6-methyl-2-pyridinyl]-2-(2,6-difluorophenyl)acetamide?
2-[4-(3-aminopropyl)-6-methyl-2-pyridinyl]-2-(2,6-difluorophenyl)acetamide has a molecular weight of 319.36 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-aminopropyl)-6-methyl-2-pyridinyl]-2-(2,6-difluorophenyl)acetamide is sourced from PubChem (CID 21061453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).