[6-amino-3-[[[2-[1-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-4-methyl-6-oxo-2,3-dihydropyridin-5-yl]acetyl]amino]methyl]-4-methyl-2-pyridinyl]methyl acetate

C25H30F2N6O4 — CID 15982838

IUPAC[6-amino-3-[[[2-[1-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-4-methyl-6-oxo-2,3-dihydropyridin-5-yl]acetyl]amino]methyl]-4-methyl-2-pyridinyl]methyl acetate
SMILESCC(=O)OCc1nc(N)cc(C)c1CNC(=O)CC1=C(C)CCN(NCC(F)(F)c2ccccn2)C1=O
InChIInChI=1S/C25H30F2N6O4/c1-15-7-9-33(31-14-25(26,27)21-6-4-5-8-29-21)24(36)18(15)11-23(35)30-12-19-16(2)10-22(28)32-20(19)13-37-17(3)34/h4-6,8,10,31H,7,9,11-14H2,1-3H3,(H2,28,32)(H,30,35)
InChIKeyRUYPASRLOTUCPB-UHFFFAOYSA-N
MW516.55 g/mol
LogP2.28
Rot. Bonds10

About [6-amino-3-[[[2-[1-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-4-methyl-6-oxo-2,3-dihydropyridin-5-yl]acetyl]amino]methyl]-4-methyl-2-pyridinyl]methyl acetate

[6-amino-3-[[[2-[1-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-4-methyl-6-oxo-2,3-dihydropyridin-5-yl]acetyl]amino]methyl]-4-methyl-2-pyridinyl]methyl acetate (PubChem CID 15982838) has the molecular formula C25H30F2N6O4 and a molecular weight of 516.55 g/mol. Its IUPAC name is [6-amino-3-[[[2-[1-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-4-methyl-6-oxo-2,3-dihydropyridin-5-yl]acetyl]amino]methyl]-4-methyl-2-pyridinyl]methyl acetate.

Molecular Properties

Compound Name[6-amino-3-[[[2-[1-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-4-methyl-6-oxo-2,3-dihydropyridin-5-yl]acetyl]amino]methyl]-4-methyl-2-pyridinyl]methyl acetate
PubChem CID15982838
Molecular FormulaC25H30F2N6O4
Molecular Weight516.55 g/mol
Exact Mass516.23
IUPAC Name[6-amino-3-[[[2-[1-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-4-methyl-6-oxo-2,3-dihydropyridin-5-yl]acetyl]amino]methyl]-4-methyl-2-pyridinyl]methyl acetate
SMILESCC(=O)OCc1nc(N)cc(C)c1CNC(=O)CC1=C(C)CCN(NCC(F)(F)c2ccccn2)C1=O
InChIInChI=1S/C25H30F2N6O4/c1-15-7-9-33(31-14-25(26,27)21-6-4-5-8-29-21)24(36)18(15)11-23(35)30-12-19-16(2)10-22(28)32-20(19)13-37-17(3)34/h4-6,8,10,31H,7,9,11-14H2,1-3H3,(H2,28,32)(H,30,35)
InChIKeyRUYPASRLOTUCPB-UHFFFAOYSA-N
XLogP2.28
TPSA139.54 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.55
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze [6-amino-3-[[[2-[1-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-4-methyl-6-oxo-2,3-dihydropyridin-5-yl]acetyl]amino]methyl]-4-methyl-2-pyridinyl]methyl acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [6-amino-3-[[[2-[1-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-4-methyl-6-oxo-2,3-dihydropyridin-5-yl]acetyl]amino]methyl]-4-methyl-2-pyridinyl]methyl acetate?
The IUPAC name of [6-amino-3-[[[2-[1-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-4-methyl-6-oxo-2,3-dihydropyridin-5-yl]acetyl]amino]methyl]-4-methyl-2-pyridinyl]methyl acetate (CID 15982838) is [6-amino-3-[[[2-[1-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-4-methyl-6-oxo-2,3-dihydropyridin-5-yl]acetyl]amino]methyl]-4-methyl-2-pyridinyl]methyl acetate.
What is the SMILES notation for [6-amino-3-[[[2-[1-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-4-methyl-6-oxo-2,3-dihydropyridin-5-yl]acetyl]amino]methyl]-4-methyl-2-pyridinyl]methyl acetate?
The canonical SMILES for [6-amino-3-[[[2-[1-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-4-methyl-6-oxo-2,3-dihydropyridin-5-yl]acetyl]amino]methyl]-4-methyl-2-pyridinyl]methyl acetate is CC(=O)OCc1nc(N)cc(C)c1CNC(=O)CC1=C(C)CCN(NCC(F)(F)c2ccccn2)C1=O.
What is the InChIKey of [6-amino-3-[[[2-[1-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-4-methyl-6-oxo-2,3-dihydropyridin-5-yl]acetyl]amino]methyl]-4-methyl-2-pyridinyl]methyl acetate?
The InChIKey is RUYPASRLOTUCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F2N6O4/c1-15-7-9-33(31-14-25(26,27)21-6-4-5-8-29-21)24(36)18(15)11-23(35)30-12-19-16(2)10-22(28)32-20(19)13-37-17(3)34/h4-6,8,10,31H,7,9,11-14H2,1-3H3,(H2,28,32)(H,30,35).
What are the key properties of [6-amino-3-[[[2-[1-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-4-methyl-6-oxo-2,3-dihydropyridin-5-yl]acetyl]amino]methyl]-4-methyl-2-pyridinyl]methyl acetate?
[6-amino-3-[[[2-[1-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-4-methyl-6-oxo-2,3-dihydropyridin-5-yl]acetyl]amino]methyl]-4-methyl-2-pyridinyl]methyl acetate has a molecular weight of 516.55 g/mol, XLogP of 2.28, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-amino-3-[[[2-[1-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-4-methyl-6-oxo-2,3-dihydropyridin-5-yl]acetyl]amino]methyl]-4-methyl-2-pyridinyl]methyl acetate is sourced from PubChem (CID 15982838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).