4-[(2S)-1-[(3-fluorophenyl)methyl]piperidin-2-yl]-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-5-carboxamide

C26H29FN4O2 — CID 92640580

IUPAC4-[(2S)-1-[(3-fluorophenyl)methyl]piperidin-2-yl]-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-5-carboxamide
SMILESCOc1ccc(CNC(=O)c2cnc(C)nc2[C@@H]2CCCCN2Cc2cccc(F)c2)cc1
InChIInChI=1S/C26H29FN4O2/c1-18-28-16-23(26(32)29-15-19-9-11-22(33-2)12-10-19)25(30-18)24-8-3-4-13-31(24)17-20-6-5-7-21(27)14-20/h5-7,9-12,14,16,24H,3-4,8,13,15,17H2,1-2H3,(H,29,32)/t24-/m0/s1
InChIKeyUPDUXLAVXJGGGR-DEOSSOPVSA-N
MW448.54 g/mol
LogP4.59
Rot. Bonds7

About 4-[(2S)-1-[(3-fluorophenyl)methyl]piperidin-2-yl]-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-5-carboxamide

4-[(2S)-1-[(3-fluorophenyl)methyl]piperidin-2-yl]-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-5-carboxamide (PubChem CID 92640580) has the molecular formula C26H29FN4O2 and a molecular weight of 448.54 g/mol. Its IUPAC name is 4-[(2S)-1-[(3-fluorophenyl)methyl]piperidin-2-yl]-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-[(2S)-1-[(3-fluorophenyl)methyl]piperidin-2-yl]-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-5-carboxamide
PubChem CID92640580
Molecular FormulaC26H29FN4O2
Molecular Weight448.54 g/mol
Exact Mass448.23
IUPAC Name4-[(2S)-1-[(3-fluorophenyl)methyl]piperidin-2-yl]-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-5-carboxamide
SMILESCOc1ccc(CNC(=O)c2cnc(C)nc2[C@@H]2CCCCN2Cc2cccc(F)c2)cc1
InChIInChI=1S/C26H29FN4O2/c1-18-28-16-23(26(32)29-15-19-9-11-22(33-2)12-10-19)25(30-18)24-8-3-4-13-31(24)17-20-6-5-7-21(27)14-20/h5-7,9-12,14,16,24H,3-4,8,13,15,17H2,1-2H3,(H,29,32)/t24-/m0/s1
InChIKeyUPDUXLAVXJGGGR-DEOSSOPVSA-N
XLogP4.59
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.54
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(2S)-1-[(3-fluorophenyl)methyl]piperidin-2-yl]-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-5-carboxamide 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

4-[(2R)-1-[2-(azetidin-1-yl)-2-oxoethyl]piperidin-2-yl]-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-5-carboxamide
CID 92640575
N-[(4-fluorophenyl)methyl]-6-[1-[(3-fluorophenyl)methyl]pyrrolidin-2-yl]-2-methylpyridine-3-carboxamide
CID 110261210
4-[(2R)-1-[(4-fluorophenyl)methyl]piperidin-2-yl]-2-methyl-N-phenylpyrimidine-5-carboxamide
CID 129361212
N-benzyl-2-[1-[(4-ethoxyphenyl)methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 175660224
N-benzyl-4-[1-[2-(cyclohexylamino)-2-oxoethyl]pyrrolidin-2-yl]-2-methylpyrimidine-5-carboxamide
CID 110085118
1-[(3-fluorophenyl)methyl]-2-(4-methoxyphenyl)pyrrolidine
CID 20895836
N-[(4-fluorophenyl)methyl]-2-[1-[(4-fluorophenyl)methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 110247725
N-[(4-fluorophenyl)methyl]-2-[(2S)-1-[(4-fluorophenyl)methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 92639751
2-[1-[(4-ethoxyphenyl)methyl]pyrrolidin-2-yl]-N-[(4-fluorophenyl)methyl]-4-methylpyrimidine-5-carboxamide
CID 110247487
N-[(4-fluorophenyl)methyl]-2-[1-[(2-methoxyphenyl)methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 110247738
N-benzyl-2-methyl-4-[(2R)-1-pyrrolidin-1-ylsulfonylpiperidin-2-yl]pyrimidine-5-carboxamide
CID 92640601
N-benzyl-4-[1-[3-(2-fluorophenyl)propanoyl]pyrrolidin-2-yl]-2-methylpyrimidine-5-carboxamide
CID 132767196

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-1-[(3-fluorophenyl)methyl]piperidin-2-yl]-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-5-carboxamide?
The IUPAC name of 4-[(2S)-1-[(3-fluorophenyl)methyl]piperidin-2-yl]-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-5-carboxamide (CID 92640580) is 4-[(2S)-1-[(3-fluorophenyl)methyl]piperidin-2-yl]-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-[(2S)-1-[(3-fluorophenyl)methyl]piperidin-2-yl]-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-5-carboxamide?
The canonical SMILES for 4-[(2S)-1-[(3-fluorophenyl)methyl]piperidin-2-yl]-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-5-carboxamide is COc1ccc(CNC(=O)c2cnc(C)nc2[C@@H]2CCCCN2Cc2cccc(F)c2)cc1.
What is the InChIKey of 4-[(2S)-1-[(3-fluorophenyl)methyl]piperidin-2-yl]-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-5-carboxamide?
The InChIKey is UPDUXLAVXJGGGR-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H29FN4O2/c1-18-28-16-23(26(32)29-15-19-9-11-22(33-2)12-10-19)25(30-18)24-8-3-4-13-31(24)17-20-6-5-7-21(27)14-20/h5-7,9-12,14,16,24H,3-4,8,13,15,17H2,1-2H3,(H,29,32)/t24-/m0/s1.
What are the key properties of 4-[(2S)-1-[(3-fluorophenyl)methyl]piperidin-2-yl]-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-5-carboxamide?
4-[(2S)-1-[(3-fluorophenyl)methyl]piperidin-2-yl]-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-5-carboxamide has a molecular weight of 448.54 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-1-[(3-fluorophenyl)methyl]piperidin-2-yl]-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 92640580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).