4-[(2R)-1-[2-(azetidin-1-yl)-2-oxoethyl]piperidin-2-yl]-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-5-carboxamide

C23H28FN5O2 — CID 92640575

IUPAC4-[(2R)-1-[2-(azetidin-1-yl)-2-oxoethyl]piperidin-2-yl]-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NCc2ccc(F)cc2)c([C@H]2CCCCN2CC(=O)N2CCC2)n1
InChIInChI=1S/C23H28FN5O2/c1-16-25-14-19(23(31)26-13-17-6-8-18(24)9-7-17)22(27-16)20-5-2-3-10-29(20)15-21(30)28-11-4-12-28/h6-9,14,20H,2-5,10-13,15H2,1H3,(H,26,31)/t20-/m1/s1
InChIKeyNGMNEPLGMXWKSA-HXUWFJFHSA-N
MW425.51 g/mol
LogP2.61
Rot. Bonds6

About 4-[(2R)-1-[2-(azetidin-1-yl)-2-oxoethyl]piperidin-2-yl]-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-5-carboxamide

4-[(2R)-1-[2-(azetidin-1-yl)-2-oxoethyl]piperidin-2-yl]-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-5-carboxamide (PubChem CID 92640575) has the molecular formula C23H28FN5O2 and a molecular weight of 425.51 g/mol. Its IUPAC name is 4-[(2R)-1-[2-(azetidin-1-yl)-2-oxoethyl]piperidin-2-yl]-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-[(2R)-1-[2-(azetidin-1-yl)-2-oxoethyl]piperidin-2-yl]-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-5-carboxamide
PubChem CID92640575
Molecular FormulaC23H28FN5O2
Molecular Weight425.51 g/mol
Exact Mass425.22
IUPAC Name4-[(2R)-1-[2-(azetidin-1-yl)-2-oxoethyl]piperidin-2-yl]-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NCc2ccc(F)cc2)c([C@H]2CCCCN2CC(=O)N2CCC2)n1
InChIInChI=1S/C23H28FN5O2/c1-16-25-14-19(23(31)26-13-17-6-8-18(24)9-7-17)22(27-16)20-5-2-3-10-29(20)15-21(30)28-11-4-12-28/h6-9,14,20H,2-5,10-13,15H2,1H3,(H,26,31)/t20-/m1/s1
InChIKeyNGMNEPLGMXWKSA-HXUWFJFHSA-N
XLogP2.61
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2S)-1-[(3-fluorophenyl)methyl]piperidin-2-yl]-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-5-carboxamide
CID 92640580
4-[(2R)-1-[(4-fluorophenyl)methyl]piperidin-2-yl]-2-methyl-N-phenylpyrimidine-5-carboxamide
CID 129361212
N-benzyl-4-[1-[2-(cyclohexylamino)-2-oxoethyl]pyrrolidin-2-yl]-2-methylpyrimidine-5-carboxamide
CID 110085118
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
N-[(4-fluorophenyl)methyl]-4-methyl-2-[1-(2-pyrrolidin-1-ylacetyl)piperidin-4-yl]pyrimidine-5-carboxamide
CID 110084882
N-[[2-methyl-4-[(2R)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrolidin-2-yl]pyrimidin-5-yl]methyl]acetamide
CID 124997828
2-[(2R)-1-cyclopentylpiperidin-2-yl]-N-[(4-fluorophenyl)methyl]-4-methylpyrimidine-5-carboxamide
CID 92639674
N-benzyl-2-methyl-4-[(2R)-1-pyrrolidin-1-ylsulfonylpiperidin-2-yl]pyrimidine-5-carboxamide
CID 92640601
2-[(2R)-1-(2-cyclopentylacetyl)piperidin-2-yl]-N-[(4-fluorophenyl)methyl]-4-methylpyrimidine-5-carboxamide
CID 92639602
N-[(4-fluorophenyl)methyl]-4-methyl-2-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]pyrimidine-5-carboxamide
CID 92639611
N-cyclohexyl-4-[(2R)-1-[3-(4-fluorophenyl)propanoyl]pyrrolidin-2-yl]-2-methylpyrimidine-5-carboxamide
CID 92640451

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-1-[2-(azetidin-1-yl)-2-oxoethyl]piperidin-2-yl]-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-5-carboxamide?
The IUPAC name of 4-[(2R)-1-[2-(azetidin-1-yl)-2-oxoethyl]piperidin-2-yl]-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-5-carboxamide (CID 92640575) is 4-[(2R)-1-[2-(azetidin-1-yl)-2-oxoethyl]piperidin-2-yl]-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-[(2R)-1-[2-(azetidin-1-yl)-2-oxoethyl]piperidin-2-yl]-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-5-carboxamide?
The canonical SMILES for 4-[(2R)-1-[2-(azetidin-1-yl)-2-oxoethyl]piperidin-2-yl]-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-5-carboxamide is Cc1ncc(C(=O)NCc2ccc(F)cc2)c([C@H]2CCCCN2CC(=O)N2CCC2)n1.
What is the InChIKey of 4-[(2R)-1-[2-(azetidin-1-yl)-2-oxoethyl]piperidin-2-yl]-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-5-carboxamide?
The InChIKey is NGMNEPLGMXWKSA-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H28FN5O2/c1-16-25-14-19(23(31)26-13-17-6-8-18(24)9-7-17)22(27-16)20-5-2-3-10-29(20)15-21(30)28-11-4-12-28/h6-9,14,20H,2-5,10-13,15H2,1H3,(H,26,31)/t20-/m1/s1.
What are the key properties of 4-[(2R)-1-[2-(azetidin-1-yl)-2-oxoethyl]piperidin-2-yl]-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-5-carboxamide?
4-[(2R)-1-[2-(azetidin-1-yl)-2-oxoethyl]piperidin-2-yl]-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-5-carboxamide has a molecular weight of 425.51 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-1-[2-(azetidin-1-yl)-2-oxoethyl]piperidin-2-yl]-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 92640575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).