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

C25H27FN4O2 — CID 110084861

IUPACN-(4-fluorophenyl)-2-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-4-methylpyrimidine-5-carboxamide
SMILESCOc1cccc(CN2CCC(c3ncc(C(=O)Nc4ccc(F)cc4)c(C)n3)CC2)c1
InChIInChI=1S/C25H27FN4O2/c1-17-23(25(31)29-21-8-6-20(26)7-9-21)15-27-24(28-17)19-10-12-30(13-11-19)16-18-4-3-5-22(14-18)32-2/h3-9,14-15,19H,10-13,16H2,1-2H3,(H,29,31)
InChIKeyPQKPHETXGXLPSQ-UHFFFAOYSA-N
MW434.52 g/mol
LogP4.56
Rot. Bonds6

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

N-(4-fluorophenyl)-2-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-4-methylpyrimidine-5-carboxamide (PubChem CID 110084861) has the molecular formula C25H27FN4O2 and a molecular weight of 434.52 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-4-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-4-methylpyrimidine-5-carboxamide
PubChem CID110084861
Molecular FormulaC25H27FN4O2
Molecular Weight434.52 g/mol
Exact Mass434.21
IUPAC NameN-(4-fluorophenyl)-2-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-4-methylpyrimidine-5-carboxamide
SMILESCOc1cccc(CN2CCC(c3ncc(C(=O)Nc4ccc(F)cc4)c(C)n3)CC2)c1
InChIInChI=1S/C25H27FN4O2/c1-17-23(25(31)29-21-8-6-20(26)7-9-21)15-27-24(28-17)19-10-12-30(13-11-19)16-18-4-3-5-22(14-18)32-2/h3-9,14-15,19H,10-13,16H2,1-2H3,(H,29,31)
InChIKeyPQKPHETXGXLPSQ-UHFFFAOYSA-N
XLogP4.56
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[(2-ethylpyrimidin-5-yl)methyl]piperidin-4-yl]-N-(4-methoxyphenyl)-4-methylpyrimidine-5-carboxamide
CID 92636697
2-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-N-[(3-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide
CID 92639388
N-[(3-methoxyphenyl)methyl]-2-[(3R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]-4-methylpyrimidine-5-carboxamide
CID 129361149
2-[1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-N-(4-methoxyphenyl)-4-methylpyrimidine-5-carboxamide
CID 110088656
2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 110084796
N-(4-chlorophenyl)-4-methyl-2-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide
CID 110253222
N-(4-methoxyphenyl)-4-methyl-2-[1-(2-pyrrolidin-1-ylacetyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide
CID 110250655
2-cyclopropyl-4-methyl-N-[3-(1,2,4-triazol-4-ylmethyl)phenyl]pyrimidine-5-carboxamide
CID 155955800
2-[(3S)-1-(2-methoxyacetyl)pyrrolidin-3-yl]-N-(4-methoxyphenyl)-4-methylpyrimidine-5-carboxamide
CID 92640157
N-[(3-methoxyphenyl)methyl]-4-methyl-2-[(3R)-pyrrolidin-3-yl]pyrimidine-5-carboxamide
CID 124960830
N-(4-methoxyphenyl)-4-methyl-2-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]pyrimidine-5-carboxamide
CID 110084827
N-[(3-methoxyphenyl)methyl]-4-methyl-2-[(3S)-pyrrolidin-3-yl]pyrimidine-5-carboxamide
CID 124960829

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-4-methylpyrimidine-5-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-2-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-4-methylpyrimidine-5-carboxamide (CID 110084861) is N-(4-fluorophenyl)-2-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-4-methylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-4-methylpyrimidine-5-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-4-methylpyrimidine-5-carboxamide is COc1cccc(CN2CCC(c3ncc(C(=O)Nc4ccc(F)cc4)c(C)n3)CC2)c1.
What is the InChIKey of N-(4-fluorophenyl)-2-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-4-methylpyrimidine-5-carboxamide?
The InChIKey is PQKPHETXGXLPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O2/c1-17-23(25(31)29-21-8-6-20(26)7-9-21)15-27-24(28-17)19-10-12-30(13-11-19)16-18-4-3-5-22(14-18)32-2/h3-9,14-15,19H,10-13,16H2,1-2H3,(H,29,31).
What are the key properties of N-(4-fluorophenyl)-2-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-4-methylpyrimidine-5-carboxamide?
N-(4-fluorophenyl)-2-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-4-methylpyrimidine-5-carboxamide has a molecular weight of 434.52 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-4-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 110084861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).