N-[3-[4-(2-fluoro-4-methylanilino)-3,7-dimethyl-6-(oxan-4-yl)-2,5-dioxopyrano[3,2-c]pyridin-8-yl]phenyl]acetamide

C30H30FN3O5 — CID 146544102

IUPACN-[3-[4-(2-fluoro-4-methylanilino)-3,7-dimethyl-6-(oxan-4-yl)-2,5-dioxopyrano[3,2-c]pyridin-8-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2c(C)n(C3CCOCC3)c(=O)c3c(Nc4ccc(C)cc4F)c(C)c(=O)oc23)c1
InChIInChI=1S/C30H30FN3O5/c1-16-8-9-24(23(31)14-16)33-27-17(2)30(37)39-28-25(20-6-5-7-21(15-20)32-19(4)35)18(3)34(29(36)26(27)28)22-10-12-38-13-11-22/h5-9,14-15,22,33H,10-13H2,1-4H3,(H,32,35)
InChIKeyBZNYCLGMSADPBM-UHFFFAOYSA-N
MW531.58 g/mol
LogP5.74
Rot. Bonds5

About N-[3-[4-(2-fluoro-4-methylanilino)-3,7-dimethyl-6-(oxan-4-yl)-2,5-dioxopyrano[3,2-c]pyridin-8-yl]phenyl]acetamide

N-[3-[4-(2-fluoro-4-methylanilino)-3,7-dimethyl-6-(oxan-4-yl)-2,5-dioxopyrano[3,2-c]pyridin-8-yl]phenyl]acetamide (PubChem CID 146544102) has the molecular formula C30H30FN3O5 and a molecular weight of 531.58 g/mol. Its IUPAC name is N-[3-[4-(2-fluoro-4-methylanilino)-3,7-dimethyl-6-(oxan-4-yl)-2,5-dioxopyrano[3,2-c]pyridin-8-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[4-(2-fluoro-4-methylanilino)-3,7-dimethyl-6-(oxan-4-yl)-2,5-dioxopyrano[3,2-c]pyridin-8-yl]phenyl]acetamide
PubChem CID146544102
Molecular FormulaC30H30FN3O5
Molecular Weight531.58 g/mol
Exact Mass531.22
IUPAC NameN-[3-[4-(2-fluoro-4-methylanilino)-3,7-dimethyl-6-(oxan-4-yl)-2,5-dioxopyrano[3,2-c]pyridin-8-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2c(C)n(C3CCOCC3)c(=O)c3c(Nc4ccc(C)cc4F)c(C)c(=O)oc23)c1
InChIInChI=1S/C30H30FN3O5/c1-16-8-9-24(23(31)14-16)33-27-17(2)30(37)39-28-25(20-6-5-7-21(15-20)32-19(4)35)18(3)34(29(36)26(27)28)22-10-12-38-13-11-22/h5-9,14-15,22,33H,10-13H2,1-4H3,(H,32,35)
InChIKeyBZNYCLGMSADPBM-UHFFFAOYSA-N
XLogP5.74
TPSA102.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.58
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[3-[4-(2-fluoro-4-methylanilino)-3,7-dimethyl-6-(oxan-4-yl)-2,5-dioxopyrano[3,2-c]pyridin-8-yl]phenyl]acetamide with MolForge

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Related Compounds

N-[3-[6-cyclopropyl-4-(2-fluoro-4-methylanilino)-3,7-dimethyl-2,5-dioxopyrano[3,2-c]pyridin-8-yl]phenyl]-2,2-dimethoxyacetamide
CID 146543421
6-cyclopropyl-4-(2-fluoro-4-methylanilino)-3,7-dimethyl-8-[3-(methylsulfonylmethyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione
CID 146600528
N-[3-[4-(2-fluoro-4-methylanilino)-3,7-dimethyl-6-[2-[methyl(methylsulfinyl)amino]ethyl]-2,5-dioxopyrano[3,2-c]pyridin-8-yl]phenyl]acetamide
CID 146543677
N-[3-[6-cyclopropyl-4-(2-fluoro-4-iodoanilino)-3,7-dimethyl-2,5-dioxopyrano[3,2-c]pyridin-8-yl]phenyl]cyclopropanesulfonamide
CID 146543727
N-[3-[6-cyclopropyl-4-(2-fluoro-4-iodoanilino)-3,7-dimethyl-2,5-dioxopyrano[3,2-c]pyridin-8-yl]-4-fluorophenyl]acetamide
CID 146543492
N-[3-[4-(2-fluoro-4-iodoanilino)-3,7-dimethyl-2,5-dioxo-6-propylpyrano[3,2-c]pyridin-8-yl]phenyl]acetamide
CID 163464130
6-cyclopropyl-4-(2-fluoro-4-methylanilino)-3,7-dimethyl-8-[2-methyl-3-(methylsulfanylamino)phenyl]pyrano[3,2-c]pyridine-2,5-dione;ethane
CID 166080854
N-[3-[4-(2-fluoro-4-iodoanilino)-3,7-dimethyl-6-[2-(methylamino)ethyl]-2,5-dioxopyrano[3,2-c]pyridin-8-yl]phenyl]acetamide
CID 146543505
8-bromo-4-(2-fluoroanilino)-3,7-dimethyl-6-(oxan-4-yl)pyrano[3,2-c]pyridine-2,5-dione
CID 146544233
8-[(3-aminophenyl)methyl]-6-cyclopropyl-4-(2-fluoro-4-methylanilino)-3,7-dimethylpyrano[3,2-c]pyridine-2,5-dione
CID 146544248
8-(3-aminophenyl)-6-cyclopropyl-4-(2-fluoro-4-methylanilino)-3-methylpyrano[2,3-d]pyridazine-2,5-dione
CID 166080921
6-cyclopropyl-4-(2-fluoro-4-iodoanilino)-3,7-dimethyl-8-[2-methyl-3-(methylsulfamoylamino)phenyl]pyrano[3,2-c]pyridine-2,5-dione
CID 166081031

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2-fluoro-4-methylanilino)-3,7-dimethyl-6-(oxan-4-yl)-2,5-dioxopyrano[3,2-c]pyridin-8-yl]phenyl]acetamide?
The IUPAC name of N-[3-[4-(2-fluoro-4-methylanilino)-3,7-dimethyl-6-(oxan-4-yl)-2,5-dioxopyrano[3,2-c]pyridin-8-yl]phenyl]acetamide (CID 146544102) is N-[3-[4-(2-fluoro-4-methylanilino)-3,7-dimethyl-6-(oxan-4-yl)-2,5-dioxopyrano[3,2-c]pyridin-8-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[4-(2-fluoro-4-methylanilino)-3,7-dimethyl-6-(oxan-4-yl)-2,5-dioxopyrano[3,2-c]pyridin-8-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[4-(2-fluoro-4-methylanilino)-3,7-dimethyl-6-(oxan-4-yl)-2,5-dioxopyrano[3,2-c]pyridin-8-yl]phenyl]acetamide is CC(=O)Nc1cccc(-c2c(C)n(C3CCOCC3)c(=O)c3c(Nc4ccc(C)cc4F)c(C)c(=O)oc23)c1.
What is the InChIKey of N-[3-[4-(2-fluoro-4-methylanilino)-3,7-dimethyl-6-(oxan-4-yl)-2,5-dioxopyrano[3,2-c]pyridin-8-yl]phenyl]acetamide?
The InChIKey is BZNYCLGMSADPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30FN3O5/c1-16-8-9-24(23(31)14-16)33-27-17(2)30(37)39-28-25(20-6-5-7-21(15-20)32-19(4)35)18(3)34(29(36)26(27)28)22-10-12-38-13-11-22/h5-9,14-15,22,33H,10-13H2,1-4H3,(H,32,35).
What are the key properties of N-[3-[4-(2-fluoro-4-methylanilino)-3,7-dimethyl-6-(oxan-4-yl)-2,5-dioxopyrano[3,2-c]pyridin-8-yl]phenyl]acetamide?
N-[3-[4-(2-fluoro-4-methylanilino)-3,7-dimethyl-6-(oxan-4-yl)-2,5-dioxopyrano[3,2-c]pyridin-8-yl]phenyl]acetamide has a molecular weight of 531.58 g/mol, XLogP of 5.74, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-fluoro-4-methylanilino)-3,7-dimethyl-6-(oxan-4-yl)-2,5-dioxopyrano[3,2-c]pyridin-8-yl]phenyl]acetamide is sourced from PubChem (CID 146544102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).