N-[1-[2-(2,4-dimethylphenyl)-1-[4-(2-fluoropropan-2-yl)phenyl]-6-oxopyrimidin-4-yl]piperidin-4-yl]-2-methylpropanamide

C30H37FN4O2 — CID 143596280

IUPACN-[1-[2-(2,4-dimethylphenyl)-1-[4-(2-fluoropropan-2-yl)phenyl]-6-oxopyrimidin-4-yl]piperidin-4-yl]-2-methylpropanamide
SMILESCc1ccc(-c2nc(N3CCC(NC(=O)C(C)C)CC3)cc(=O)n2-c2ccc(C(C)(C)F)cc2)c(C)c1
InChIInChI=1S/C30H37FN4O2/c1-19(2)29(37)32-23-13-15-34(16-14-23)26-18-27(36)35(24-10-8-22(9-11-24)30(5,6)31)28(33-26)25-12-7-20(3)17-21(25)4/h7-12,17-19,23H,13-16H2,1-6H3,(H,32,37)
InChIKeyLLTRWXSZWFLXKD-UHFFFAOYSA-N
MW504.65 g/mol
LogP5.46
Rot. Bonds6

About N-[1-[2-(2,4-dimethylphenyl)-1-[4-(2-fluoropropan-2-yl)phenyl]-6-oxopyrimidin-4-yl]piperidin-4-yl]-2-methylpropanamide

N-[1-[2-(2,4-dimethylphenyl)-1-[4-(2-fluoropropan-2-yl)phenyl]-6-oxopyrimidin-4-yl]piperidin-4-yl]-2-methylpropanamide (PubChem CID 143596280) has the molecular formula C30H37FN4O2 and a molecular weight of 504.65 g/mol. Its IUPAC name is N-[1-[2-(2,4-dimethylphenyl)-1-[4-(2-fluoropropan-2-yl)phenyl]-6-oxopyrimidin-4-yl]piperidin-4-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-[2-(2,4-dimethylphenyl)-1-[4-(2-fluoropropan-2-yl)phenyl]-6-oxopyrimidin-4-yl]piperidin-4-yl]-2-methylpropanamide
PubChem CID143596280
Molecular FormulaC30H37FN4O2
Molecular Weight504.65 g/mol
Exact Mass504.29
IUPAC NameN-[1-[2-(2,4-dimethylphenyl)-1-[4-(2-fluoropropan-2-yl)phenyl]-6-oxopyrimidin-4-yl]piperidin-4-yl]-2-methylpropanamide
SMILESCc1ccc(-c2nc(N3CCC(NC(=O)C(C)C)CC3)cc(=O)n2-c2ccc(C(C)(C)F)cc2)c(C)c1
InChIInChI=1S/C30H37FN4O2/c1-19(2)29(37)32-23-13-15-34(16-14-23)26-18-27(36)35(24-10-8-22(9-11-24)30(5,6)31)28(33-26)25-12-7-20(3)17-21(25)4/h7-12,17-19,23H,13-16H2,1-6H3,(H,32,37)
InChIKeyLLTRWXSZWFLXKD-UHFFFAOYSA-N
XLogP5.46
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.65
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[2-(2,4-dimethylphenyl)-1-[4-(2-fluoropropan-2-yl)phenyl]-6-oxopyrimidin-4-yl]piperidin-4-yl]-2-methylpropanamide 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-dimethylphenyl)-2-[(3-fluorophenyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxamide
CID 135622617
N-(3,4-dimethylphenyl)-2-[(3-fluorophenyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxamide
CID 136231313
N-(3,4-dimethylphenyl)-2-[(2-fluorophenyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxamide
CID 136231314
2-(3-Methylphenyl)-N-(4-methylphenyl)-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[4,3-D]pyrimidine-6-carboxamide
CID 135622568
N-anthracen-1-yl-4-[3-(diethylamino)propylamino]-6-methyl-2-oxo-1H-pyrimidine-5-carboxamide
CID 392187
2-(2-{[1-(3'-fluoro-4-biphenylyl)-4-piperidinyl]amino}ethyl)-6-methyl-4(3H)-pyrimidinone
CID 135879896
N-[1-[2-(2-fluorophenyl)-6-oxo-1-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-4-yl]-2-methylpropanamide
CID 24861593
N-[1-[2-(2,4-dimethylphenyl)-6-oxo-1-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-4-yl]-2-methylpropanamide
CID 24861617
N-[1-[2-(4-chloro-2-methylphenyl)-6-oxo-1-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-4-yl]propanamide
CID 24861619
tert-butyl N-[1-[2-(2,4-difluorophenyl)-6-oxo-1-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-4-yl]carbamate
CID 24861682
N-[1-[2-(2-chlorophenyl)-6-oxo-1-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-4-yl]-2-methylpropanamide
CID 24861703
2-methyl-N-[1-[2-(2-methylphenyl)-6-oxo-1-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-4-yl]propanamide
CID 24861726

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2,4-dimethylphenyl)-1-[4-(2-fluoropropan-2-yl)phenyl]-6-oxopyrimidin-4-yl]piperidin-4-yl]-2-methylpropanamide?
The IUPAC name of N-[1-[2-(2,4-dimethylphenyl)-1-[4-(2-fluoropropan-2-yl)phenyl]-6-oxopyrimidin-4-yl]piperidin-4-yl]-2-methylpropanamide (CID 143596280) is N-[1-[2-(2,4-dimethylphenyl)-1-[4-(2-fluoropropan-2-yl)phenyl]-6-oxopyrimidin-4-yl]piperidin-4-yl]-2-methylpropanamide.
What is the SMILES notation for N-[1-[2-(2,4-dimethylphenyl)-1-[4-(2-fluoropropan-2-yl)phenyl]-6-oxopyrimidin-4-yl]piperidin-4-yl]-2-methylpropanamide?
The canonical SMILES for N-[1-[2-(2,4-dimethylphenyl)-1-[4-(2-fluoropropan-2-yl)phenyl]-6-oxopyrimidin-4-yl]piperidin-4-yl]-2-methylpropanamide is Cc1ccc(-c2nc(N3CCC(NC(=O)C(C)C)CC3)cc(=O)n2-c2ccc(C(C)(C)F)cc2)c(C)c1.
What is the InChIKey of N-[1-[2-(2,4-dimethylphenyl)-1-[4-(2-fluoropropan-2-yl)phenyl]-6-oxopyrimidin-4-yl]piperidin-4-yl]-2-methylpropanamide?
The InChIKey is LLTRWXSZWFLXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37FN4O2/c1-19(2)29(37)32-23-13-15-34(16-14-23)26-18-27(36)35(24-10-8-22(9-11-24)30(5,6)31)28(33-26)25-12-7-20(3)17-21(25)4/h7-12,17-19,23H,13-16H2,1-6H3,(H,32,37).
What are the key properties of N-[1-[2-(2,4-dimethylphenyl)-1-[4-(2-fluoropropan-2-yl)phenyl]-6-oxopyrimidin-4-yl]piperidin-4-yl]-2-methylpropanamide?
N-[1-[2-(2,4-dimethylphenyl)-1-[4-(2-fluoropropan-2-yl)phenyl]-6-oxopyrimidin-4-yl]piperidin-4-yl]-2-methylpropanamide has a molecular weight of 504.65 g/mol, XLogP of 5.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2,4-dimethylphenyl)-1-[4-(2-fluoropropan-2-yl)phenyl]-6-oxopyrimidin-4-yl]piperidin-4-yl]-2-methylpropanamide is sourced from PubChem (CID 143596280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).