2-(3,5-difluorophenyl)-N-[6-(3,4-dihydro-1,5-naphthyridin-2-yl)-4-methyl-2-pyrrolidin-1-yl-3-pyridinyl]acetamide

C26H25F2N5O — CID 91451034

IUPAC2-(3,5-difluorophenyl)-N-[6-(3,4-dihydro-1,5-naphthyridin-2-yl)-4-methyl-2-pyrrolidin-1-yl-3-pyridinyl]acetamide
SMILESCc1cc(C2=Nc3cccnc3CC2)nc(N2CCCC2)c1NC(=O)Cc1cc(F)cc(F)c1
InChIInChI=1S/C26H25F2N5O/c1-16-11-23(22-7-6-20-21(30-22)5-4-8-29-20)31-26(33-9-2-3-10-33)25(16)32-24(34)14-17-12-18(27)15-19(28)13-17/h4-5,8,11-13,15H,2-3,6-7,9-10,14H2,1H3,(H,32,34)
InChIKeyXQMMXYOATDZNMO-UHFFFAOYSA-N
MW461.52 g/mol
LogP4.91
Rot. Bonds5

About 2-(3,5-difluorophenyl)-N-[6-(3,4-dihydro-1,5-naphthyridin-2-yl)-4-methyl-2-pyrrolidin-1-yl-3-pyridinyl]acetamide

2-(3,5-difluorophenyl)-N-[6-(3,4-dihydro-1,5-naphthyridin-2-yl)-4-methyl-2-pyrrolidin-1-yl-3-pyridinyl]acetamide (PubChem CID 91451034) has the molecular formula C26H25F2N5O and a molecular weight of 461.52 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-N-[6-(3,4-dihydro-1,5-naphthyridin-2-yl)-4-methyl-2-pyrrolidin-1-yl-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-N-[6-(3,4-dihydro-1,5-naphthyridin-2-yl)-4-methyl-2-pyrrolidin-1-yl-3-pyridinyl]acetamide
PubChem CID91451034
Molecular FormulaC26H25F2N5O
Molecular Weight461.52 g/mol
Exact Mass461.20
IUPAC Name2-(3,5-difluorophenyl)-N-[6-(3,4-dihydro-1,5-naphthyridin-2-yl)-4-methyl-2-pyrrolidin-1-yl-3-pyridinyl]acetamide
SMILESCc1cc(C2=Nc3cccnc3CC2)nc(N2CCCC2)c1NC(=O)Cc1cc(F)cc(F)c1
InChIInChI=1S/C26H25F2N5O/c1-16-11-23(22-7-6-20-21(30-22)5-4-8-29-20)31-26(33-9-2-3-10-33)25(16)32-24(34)14-17-12-18(27)15-19(28)13-17/h4-5,8,11-13,15H,2-3,6-7,9-10,14H2,1H3,(H,32,34)
InChIKeyXQMMXYOATDZNMO-UHFFFAOYSA-N
XLogP4.91
TPSA70.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.52
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-N-[6-(3,4-dihydro-1,5-naphthyridin-2-yl)-4-methyl-2-pyrrolidin-1-yl-3-pyridinyl]acetamide?
The IUPAC name of 2-(3,5-difluorophenyl)-N-[6-(3,4-dihydro-1,5-naphthyridin-2-yl)-4-methyl-2-pyrrolidin-1-yl-3-pyridinyl]acetamide (CID 91451034) is 2-(3,5-difluorophenyl)-N-[6-(3,4-dihydro-1,5-naphthyridin-2-yl)-4-methyl-2-pyrrolidin-1-yl-3-pyridinyl]acetamide.
What is the SMILES notation for 2-(3,5-difluorophenyl)-N-[6-(3,4-dihydro-1,5-naphthyridin-2-yl)-4-methyl-2-pyrrolidin-1-yl-3-pyridinyl]acetamide?
The canonical SMILES for 2-(3,5-difluorophenyl)-N-[6-(3,4-dihydro-1,5-naphthyridin-2-yl)-4-methyl-2-pyrrolidin-1-yl-3-pyridinyl]acetamide is Cc1cc(C2=Nc3cccnc3CC2)nc(N2CCCC2)c1NC(=O)Cc1cc(F)cc(F)c1.
What is the InChIKey of 2-(3,5-difluorophenyl)-N-[6-(3,4-dihydro-1,5-naphthyridin-2-yl)-4-methyl-2-pyrrolidin-1-yl-3-pyridinyl]acetamide?
The InChIKey is XQMMXYOATDZNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F2N5O/c1-16-11-23(22-7-6-20-21(30-22)5-4-8-29-20)31-26(33-9-2-3-10-33)25(16)32-24(34)14-17-12-18(27)15-19(28)13-17/h4-5,8,11-13,15H,2-3,6-7,9-10,14H2,1H3,(H,32,34).
What are the key properties of 2-(3,5-difluorophenyl)-N-[6-(3,4-dihydro-1,5-naphthyridin-2-yl)-4-methyl-2-pyrrolidin-1-yl-3-pyridinyl]acetamide?
2-(3,5-difluorophenyl)-N-[6-(3,4-dihydro-1,5-naphthyridin-2-yl)-4-methyl-2-pyrrolidin-1-yl-3-pyridinyl]acetamide has a molecular weight of 461.52 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-N-[6-(3,4-dihydro-1,5-naphthyridin-2-yl)-4-methyl-2-pyrrolidin-1-yl-3-pyridinyl]acetamide is sourced from PubChem (CID 91451034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).