4-(2,4-difluorophenyl)-7-[(3-hydroxy-5,5-dimethyloxolan-3-yl)methyl]-8,8-dimethyl-5,6-dihydro-1,7-naphthyridine-2-carboxamide

C24H29F2N3O3 — CID 118913266

IUPAC4-(2,4-difluorophenyl)-7-[(3-hydroxy-5,5-dimethyloxolan-3-yl)methyl]-8,8-dimethyl-5,6-dihydro-1,7-naphthyridine-2-carboxamide
SMILESCC1(C)CC(O)(CN2CCc3c(-c4ccc(F)cc4F)cc(C(N)=O)nc3C2(C)C)CO1
InChIInChI=1S/C24H29F2N3O3/c1-22(2)11-24(31,13-32-22)12-29-8-7-16-17(15-6-5-14(25)9-18(15)26)10-19(21(27)30)28-20(16)23(29,3)4/h5-6,9-10,31H,7-8,11-13H2,1-4H3,(H2,27,30)
InChIKeyKULYMYOHKHXWOC-UHFFFAOYSA-N
MW445.51 g/mol
LogP3.15
Rot. Bonds4

About 4-(2,4-difluorophenyl)-7-[(3-hydroxy-5,5-dimethyloxolan-3-yl)methyl]-8,8-dimethyl-5,6-dihydro-1,7-naphthyridine-2-carboxamide

4-(2,4-difluorophenyl)-7-[(3-hydroxy-5,5-dimethyloxolan-3-yl)methyl]-8,8-dimethyl-5,6-dihydro-1,7-naphthyridine-2-carboxamide (PubChem CID 118913266) has the molecular formula C24H29F2N3O3 and a molecular weight of 445.51 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-7-[(3-hydroxy-5,5-dimethyloxolan-3-yl)methyl]-8,8-dimethyl-5,6-dihydro-1,7-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-7-[(3-hydroxy-5,5-dimethyloxolan-3-yl)methyl]-8,8-dimethyl-5,6-dihydro-1,7-naphthyridine-2-carboxamide
PubChem CID118913266
Molecular FormulaC24H29F2N3O3
Molecular Weight445.51 g/mol
Exact Mass445.22
IUPAC Name4-(2,4-difluorophenyl)-7-[(3-hydroxy-5,5-dimethyloxolan-3-yl)methyl]-8,8-dimethyl-5,6-dihydro-1,7-naphthyridine-2-carboxamide
SMILESCC1(C)CC(O)(CN2CCc3c(-c4ccc(F)cc4F)cc(C(N)=O)nc3C2(C)C)CO1
InChIInChI=1S/C24H29F2N3O3/c1-22(2)11-24(31,13-32-22)12-29-8-7-16-17(15-6-5-14(25)9-18(15)26)10-19(21(27)30)28-20(16)23(29,3)4/h5-6,9-10,31H,7-8,11-13H2,1-4H3,(H2,27,30)
InChIKeyKULYMYOHKHXWOC-UHFFFAOYSA-N
XLogP3.15
TPSA88.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.51
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-7-[(3-hydroxy-5,5-dimethyloxolan-3-yl)methyl]-8,8-dimethyl-5,6-dihydro-1,7-naphthyridine-2-carboxamide?
The IUPAC name of 4-(2,4-difluorophenyl)-7-[(3-hydroxy-5,5-dimethyloxolan-3-yl)methyl]-8,8-dimethyl-5,6-dihydro-1,7-naphthyridine-2-carboxamide (CID 118913266) is 4-(2,4-difluorophenyl)-7-[(3-hydroxy-5,5-dimethyloxolan-3-yl)methyl]-8,8-dimethyl-5,6-dihydro-1,7-naphthyridine-2-carboxamide.
What is the SMILES notation for 4-(2,4-difluorophenyl)-7-[(3-hydroxy-5,5-dimethyloxolan-3-yl)methyl]-8,8-dimethyl-5,6-dihydro-1,7-naphthyridine-2-carboxamide?
The canonical SMILES for 4-(2,4-difluorophenyl)-7-[(3-hydroxy-5,5-dimethyloxolan-3-yl)methyl]-8,8-dimethyl-5,6-dihydro-1,7-naphthyridine-2-carboxamide is CC1(C)CC(O)(CN2CCc3c(-c4ccc(F)cc4F)cc(C(N)=O)nc3C2(C)C)CO1.
What is the InChIKey of 4-(2,4-difluorophenyl)-7-[(3-hydroxy-5,5-dimethyloxolan-3-yl)methyl]-8,8-dimethyl-5,6-dihydro-1,7-naphthyridine-2-carboxamide?
The InChIKey is KULYMYOHKHXWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F2N3O3/c1-22(2)11-24(31,13-32-22)12-29-8-7-16-17(15-6-5-14(25)9-18(15)26)10-19(21(27)30)28-20(16)23(29,3)4/h5-6,9-10,31H,7-8,11-13H2,1-4H3,(H2,27,30).
What are the key properties of 4-(2,4-difluorophenyl)-7-[(3-hydroxy-5,5-dimethyloxolan-3-yl)methyl]-8,8-dimethyl-5,6-dihydro-1,7-naphthyridine-2-carboxamide?
4-(2,4-difluorophenyl)-7-[(3-hydroxy-5,5-dimethyloxolan-3-yl)methyl]-8,8-dimethyl-5,6-dihydro-1,7-naphthyridine-2-carboxamide has a molecular weight of 445.51 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-7-[(3-hydroxy-5,5-dimethyloxolan-3-yl)methyl]-8,8-dimethyl-5,6-dihydro-1,7-naphthyridine-2-carboxamide is sourced from PubChem (CID 118913266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).