N-(4-fluorophenyl)-4-[[[5-(2-methoxyethyl)-4,7,8-trimethyl-6-oxo-7H-pteridin-2-yl]amino]methyl]benzamide

C26H29FN6O3 — CID 146203319

IUPACN-(4-fluorophenyl)-4-[[[5-(2-methoxyethyl)-4,7,8-trimethyl-6-oxo-7H-pteridin-2-yl]amino]methyl]benzamide
SMILESCOCCN1C(=O)C(C)N(C)c2nc(NCc3ccc(C(=O)Nc4ccc(F)cc4)cc3)nc(C)c21
InChIInChI=1S/C26H29FN6O3/c1-16-22-23(32(3)17(2)25(35)33(22)13-14-36-4)31-26(29-16)28-15-18-5-7-19(8-6-18)24(34)30-21-11-9-20(27)10-12-21/h5-12,17H,13-15H2,1-4H3,(H,30,34)(H,28,29,31)
InChIKeyBIHABHFUGZCIMU-UHFFFAOYSA-N
MW492.56 g/mol
LogP3.61
Rot. Bonds8

About N-(4-fluorophenyl)-4-[[[5-(2-methoxyethyl)-4,7,8-trimethyl-6-oxo-7H-pteridin-2-yl]amino]methyl]benzamide

N-(4-fluorophenyl)-4-[[[5-(2-methoxyethyl)-4,7,8-trimethyl-6-oxo-7H-pteridin-2-yl]amino]methyl]benzamide (PubChem CID 146203319) has the molecular formula C26H29FN6O3 and a molecular weight of 492.56 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-[[[5-(2-methoxyethyl)-4,7,8-trimethyl-6-oxo-7H-pteridin-2-yl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-[[[5-(2-methoxyethyl)-4,7,8-trimethyl-6-oxo-7H-pteridin-2-yl]amino]methyl]benzamide
PubChem CID146203319
Molecular FormulaC26H29FN6O3
Molecular Weight492.56 g/mol
Exact Mass492.23
IUPAC NameN-(4-fluorophenyl)-4-[[[5-(2-methoxyethyl)-4,7,8-trimethyl-6-oxo-7H-pteridin-2-yl]amino]methyl]benzamide
SMILESCOCCN1C(=O)C(C)N(C)c2nc(NCc3ccc(C(=O)Nc4ccc(F)cc4)cc3)nc(C)c21
InChIInChI=1S/C26H29FN6O3/c1-16-22-23(32(3)17(2)25(35)33(22)13-14-36-4)31-26(29-16)28-15-18-5-7-19(8-6-18)24(34)30-21-11-9-20(27)10-12-21/h5-12,17H,13-15H2,1-4H3,(H,30,34)(H,28,29,31)
InChIKeyBIHABHFUGZCIMU-UHFFFAOYSA-N
XLogP3.61
TPSA99.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.56
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(4-fluorophenyl)-4-[[[5-(2-methoxyethyl)-4,7,8-trimethyl-6-oxo-7H-pteridin-2-yl]amino]methyl]benzamide with MolForge

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Related Compounds

4-[[(4,5-dimethyl-6-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-h]pteridin-2-yl)amino]methyl]-N-(4-fluorophenyl)benzamide
CID 146203424
N-(4-fluorophenyl)-4-[[(5-methylpyrimidin-2-yl)amino]methyl]benzamide
CID 133404406
4-fluoro-N-[4-[(4-fluorophenyl)methylamino]phenyl]benzamide
CID 112982456
4-fluoro-N-[4-[[[(7S)-7-hydroxy-5,7,8-trimethyl-6-oxopteridin-2-yl]amino]methyl]phenyl]benzamide
CID 166645268
4-fluoro-N-[4-[(3-methoxypropanoylamino)methyl]phenyl]benzamide
CID 56823918
N-[4-[[[(6aR)-5-ethyl-6-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-h]pteridin-2-yl]amino]methyl]phenyl]-4-fluorobenzamide
CID 166645202
N-[(4-fluorophenyl)methyl]-4-[(4-methoxybenzoyl)amino]benzamide
CID 87005885
4-[[[(7S)-7-ethyl-4,8-dimethyl-6-oxo-5,7-dihydropteridin-2-yl]amino]methyl]-3-fluoro-N-(4-fluorophenyl)benzamide;sulfane
CID 157494650
4-[(4-fluoroanilino)methyl]-N-(2-methoxyethyl)benzamide
CID 110170555
4-N-(4-fluorophenyl)-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047271
1-N-[(4-fluorophenyl)methyl]-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109047255
4-[(4-fluorobenzoyl)amino]-N-(2-methoxyethyl)benzamide
CID 17218182

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-[[[5-(2-methoxyethyl)-4,7,8-trimethyl-6-oxo-7H-pteridin-2-yl]amino]methyl]benzamide?
The IUPAC name of N-(4-fluorophenyl)-4-[[[5-(2-methoxyethyl)-4,7,8-trimethyl-6-oxo-7H-pteridin-2-yl]amino]methyl]benzamide (CID 146203319) is N-(4-fluorophenyl)-4-[[[5-(2-methoxyethyl)-4,7,8-trimethyl-6-oxo-7H-pteridin-2-yl]amino]methyl]benzamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-[[[5-(2-methoxyethyl)-4,7,8-trimethyl-6-oxo-7H-pteridin-2-yl]amino]methyl]benzamide?
The canonical SMILES for N-(4-fluorophenyl)-4-[[[5-(2-methoxyethyl)-4,7,8-trimethyl-6-oxo-7H-pteridin-2-yl]amino]methyl]benzamide is COCCN1C(=O)C(C)N(C)c2nc(NCc3ccc(C(=O)Nc4ccc(F)cc4)cc3)nc(C)c21.
What is the InChIKey of N-(4-fluorophenyl)-4-[[[5-(2-methoxyethyl)-4,7,8-trimethyl-6-oxo-7H-pteridin-2-yl]amino]methyl]benzamide?
The InChIKey is BIHABHFUGZCIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN6O3/c1-16-22-23(32(3)17(2)25(35)33(22)13-14-36-4)31-26(29-16)28-15-18-5-7-19(8-6-18)24(34)30-21-11-9-20(27)10-12-21/h5-12,17H,13-15H2,1-4H3,(H,30,34)(H,28,29,31).
What are the key properties of N-(4-fluorophenyl)-4-[[[5-(2-methoxyethyl)-4,7,8-trimethyl-6-oxo-7H-pteridin-2-yl]amino]methyl]benzamide?
N-(4-fluorophenyl)-4-[[[5-(2-methoxyethyl)-4,7,8-trimethyl-6-oxo-7H-pteridin-2-yl]amino]methyl]benzamide has a molecular weight of 492.56 g/mol, XLogP of 3.61, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-[[[5-(2-methoxyethyl)-4,7,8-trimethyl-6-oxo-7H-pteridin-2-yl]amino]methyl]benzamide is sourced from PubChem (CID 146203319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).