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

C26H29FN4O2 — CID 110247689

IUPACN-(2-fluorophenyl)-2-[1-[(2-methoxy-3-methylphenyl)methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide
SMILESCOc1c(C)cccc1CN1CCCCC1c1ncc(C(=O)Nc2ccccc2F)c(C)n1
InChIInChI=1S/C26H29FN4O2/c1-17-9-8-10-19(24(17)33-3)16-31-14-7-6-13-23(31)25-28-15-20(18(2)29-25)26(32)30-22-12-5-4-11-21(22)27/h4-5,8-12,15,23H,6-7,13-14,16H2,1-3H3,(H,30,32)
InChIKeyABRUFUVBXJCIPV-UHFFFAOYSA-N
MW448.54 g/mol
LogP5.22
Rot. Bonds6

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

N-(2-fluorophenyl)-2-[1-[(2-methoxy-3-methylphenyl)methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide (PubChem CID 110247689) has the molecular formula C26H29FN4O2 and a molecular weight of 448.54 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[1-[(2-methoxy-3-methylphenyl)methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[1-[(2-methoxy-3-methylphenyl)methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide
PubChem CID110247689
Molecular FormulaC26H29FN4O2
Molecular Weight448.54 g/mol
Exact Mass448.23
IUPAC NameN-(2-fluorophenyl)-2-[1-[(2-methoxy-3-methylphenyl)methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide
SMILESCOc1c(C)cccc1CN1CCCCC1c1ncc(C(=O)Nc2ccccc2F)c(C)n1
InChIInChI=1S/C26H29FN4O2/c1-17-9-8-10-19(24(17)33-3)16-31-14-7-6-13-23(31)25-28-15-20(18(2)29-25)26(32)30-22-12-5-4-11-21(22)27/h4-5,8-12,15,23H,6-7,13-14,16H2,1-3H3,(H,30,32)
InChIKeyABRUFUVBXJCIPV-UHFFFAOYSA-N
XLogP5.22
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.54
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[(4-fluorophenyl)methyl]piperidin-2-yl]-N-(2-methoxyphenyl)-4-methylpyrimidine-5-carboxamide
CID 110247632
N-[(4-fluorophenyl)methyl]-2-[1-[(2-methoxyphenyl)methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 110247738
N-(2-fluorophenyl)-4-methyl-2-[(2S)-1-[2-(3-methylphenyl)acetyl]piperidin-2-yl]pyrimidine-5-carboxamide
CID 129361176
2-[(2S)-1-benzylpiperidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 92637314
N-(4-fluorophenyl)-2-[(2S)-1-[(2-methoxy-4-methylphenyl)methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 129361184
2-[1-(cyclobutanecarbonyl)piperidin-2-yl]-N-(2-methoxyphenyl)-4-methylpyrimidine-5-carboxamide
CID 110249056
2-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]-N-[(2-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide
CID 110247512
N-(2-methoxyphenyl)-4-methyl-2-[(2R)-1-(2-pyrrolidin-1-ylacetyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 92636526
2-[1-[2-(2-fluorophenyl)acetyl]pyrrolidin-3-yl]-N-(2-methoxyphenyl)-4-methylpyrimidine-5-carboxamide
CID 110250622
N-(2-methoxyphenyl)-4-methyl-2-[(2S)-1-(pyridine-4-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 92636493
N-(4-fluorophenyl)-2-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 110247458
N-[(4-fluorophenyl)methyl]-2-[1-[(4-fluorophenyl)methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 110247725

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[1-[(2-methoxy-3-methylphenyl)methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-2-[1-[(2-methoxy-3-methylphenyl)methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide (CID 110247689) is N-(2-fluorophenyl)-2-[1-[(2-methoxy-3-methylphenyl)methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[1-[(2-methoxy-3-methylphenyl)methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[1-[(2-methoxy-3-methylphenyl)methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide is COc1c(C)cccc1CN1CCCCC1c1ncc(C(=O)Nc2ccccc2F)c(C)n1.
What is the InChIKey of N-(2-fluorophenyl)-2-[1-[(2-methoxy-3-methylphenyl)methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide?
The InChIKey is ABRUFUVBXJCIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN4O2/c1-17-9-8-10-19(24(17)33-3)16-31-14-7-6-13-23(31)25-28-15-20(18(2)29-25)26(32)30-22-12-5-4-11-21(22)27/h4-5,8-12,15,23H,6-7,13-14,16H2,1-3H3,(H,30,32).
What are the key properties of N-(2-fluorophenyl)-2-[1-[(2-methoxy-3-methylphenyl)methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide?
N-(2-fluorophenyl)-2-[1-[(2-methoxy-3-methylphenyl)methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide has a molecular weight of 448.54 g/mol, XLogP of 5.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[1-[(2-methoxy-3-methylphenyl)methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 110247689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).