N-[2-(4-fluoro-2-methylphenyl)-6-oxo-1-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]pyrimidin-5-yl]-2-(methylamino)butanamide

C28H32FN5O3 — CID 140554157

IUPACN-[2-(4-fluoro-2-methylphenyl)-6-oxo-1-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]pyrimidin-5-yl]-2-(methylamino)butanamide
SMILESCCC(NC)C(=O)Nc1cnc(-c2ccc(F)cc2C)n(CC(=O)N[C@@H]2CCCc3ccccc32)c1=O
InChIInChI=1S/C28H32FN5O3/c1-4-22(30-3)27(36)33-24-15-31-26(20-13-12-19(29)14-17(20)2)34(28(24)37)16-25(35)32-23-11-7-9-18-8-5-6-10-21(18)23/h5-6,8,10,12-15,22-23,30H,4,7,9,11,16H2,1-3H3,(H,32,35)(H,33,36)/t22?,23-/m1/s1
InChIKeyXGTBPSJUUDGKQR-OZAIVSQSSA-N
MW505.59 g/mol
LogP3.49
Rot. Bonds8

About N-[2-(4-fluoro-2-methylphenyl)-6-oxo-1-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]pyrimidin-5-yl]-2-(methylamino)butanamide

N-[2-(4-fluoro-2-methylphenyl)-6-oxo-1-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]pyrimidin-5-yl]-2-(methylamino)butanamide (PubChem CID 140554157) has the molecular formula C28H32FN5O3 and a molecular weight of 505.59 g/mol. Its IUPAC name is N-[2-(4-fluoro-2-methylphenyl)-6-oxo-1-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]pyrimidin-5-yl]-2-(methylamino)butanamide.

Molecular Properties

Compound NameN-[2-(4-fluoro-2-methylphenyl)-6-oxo-1-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]pyrimidin-5-yl]-2-(methylamino)butanamide
PubChem CID140554157
Molecular FormulaC28H32FN5O3
Molecular Weight505.59 g/mol
Exact Mass505.25
IUPAC NameN-[2-(4-fluoro-2-methylphenyl)-6-oxo-1-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]pyrimidin-5-yl]-2-(methylamino)butanamide
SMILESCCC(NC)C(=O)Nc1cnc(-c2ccc(F)cc2C)n(CC(=O)N[C@@H]2CCCc3ccccc32)c1=O
InChIInChI=1S/C28H32FN5O3/c1-4-22(30-3)27(36)33-24-15-31-26(20-13-12-19(29)14-17(20)2)34(28(24)37)16-25(35)32-23-11-7-9-18-8-5-6-10-21(18)23/h5-6,8,10,12-15,22-23,30H,4,7,9,11,16H2,1-3H3,(H,32,35)(H,33,36)/t22?,23-/m1/s1
InChIKeyXGTBPSJUUDGKQR-OZAIVSQSSA-N
XLogP3.49
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.59
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[2-(4-fluoro-2-methylphenyl)-6-oxo-1-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]pyrimidin-5-yl]-2-(methylamino)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-cyanophenyl)-6-oxo-1-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]pyrimidin-5-yl]-2-(methylamino)acetamide
CID 71094005
(2S)-N-[1-[2-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]-6-oxo-2-phenylpyrimidin-5-yl]-2-(methylamino)propanamide
CID 146331996
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 7802621
2-(2-methyl-5-propan-2-ylphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 7919669
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 24587471
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 95185388
2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 7490980
2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 9168063
tert-butyl N-methyl-N-[(2S)-1-oxo-1-[[3-oxo-4-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]-5-phenylpyrazin-2-yl]amino]propan-2-yl]carbamate
CID 58581657
2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 55364748
2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 40846792
1-(2,4-difluorophenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 24819108

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluoro-2-methylphenyl)-6-oxo-1-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]pyrimidin-5-yl]-2-(methylamino)butanamide?
The IUPAC name of N-[2-(4-fluoro-2-methylphenyl)-6-oxo-1-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]pyrimidin-5-yl]-2-(methylamino)butanamide (CID 140554157) is N-[2-(4-fluoro-2-methylphenyl)-6-oxo-1-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]pyrimidin-5-yl]-2-(methylamino)butanamide.
What is the SMILES notation for N-[2-(4-fluoro-2-methylphenyl)-6-oxo-1-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]pyrimidin-5-yl]-2-(methylamino)butanamide?
The canonical SMILES for N-[2-(4-fluoro-2-methylphenyl)-6-oxo-1-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]pyrimidin-5-yl]-2-(methylamino)butanamide is CCC(NC)C(=O)Nc1cnc(-c2ccc(F)cc2C)n(CC(=O)N[C@@H]2CCCc3ccccc32)c1=O.
What is the InChIKey of N-[2-(4-fluoro-2-methylphenyl)-6-oxo-1-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]pyrimidin-5-yl]-2-(methylamino)butanamide?
The InChIKey is XGTBPSJUUDGKQR-OZAIVSQSSA-N. The full InChI is InChI=1S/C28H32FN5O3/c1-4-22(30-3)27(36)33-24-15-31-26(20-13-12-19(29)14-17(20)2)34(28(24)37)16-25(35)32-23-11-7-9-18-8-5-6-10-21(18)23/h5-6,8,10,12-15,22-23,30H,4,7,9,11,16H2,1-3H3,(H,32,35)(H,33,36)/t22?,23-/m1/s1.
What are the key properties of N-[2-(4-fluoro-2-methylphenyl)-6-oxo-1-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]pyrimidin-5-yl]-2-(methylamino)butanamide?
N-[2-(4-fluoro-2-methylphenyl)-6-oxo-1-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]pyrimidin-5-yl]-2-(methylamino)butanamide has a molecular weight of 505.59 g/mol, XLogP of 3.49, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluoro-2-methylphenyl)-6-oxo-1-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]pyrimidin-5-yl]-2-(methylamino)butanamide is sourced from PubChem (CID 140554157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).