N-[(4-fluorophenyl)methyl]-4-methyl-2-[1-(2-methylpyrazole-3-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide

C23H25FN6O2 — CID 110247737

IUPACN-[(4-fluorophenyl)methyl]-4-methyl-2-[1-(2-methylpyrazole-3-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide
SMILESCc1nc(C2CCCCN2C(=O)c2ccnn2C)ncc1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C23H25FN6O2/c1-15-18(22(31)26-13-16-6-8-17(24)9-7-16)14-25-21(28-15)19-5-3-4-12-30(19)23(32)20-10-11-27-29(20)2/h6-11,14,19H,3-5,12-13H2,1-2H3,(H,26,31)
InChIKeyXWXYNHXJWDIMRO-UHFFFAOYSA-N
MW436.49 g/mol
LogP2.96
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-4-methyl-2-[1-(2-methylpyrazole-3-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide

N-[(4-fluorophenyl)methyl]-4-methyl-2-[1-(2-methylpyrazole-3-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide (PubChem CID 110247737) has the molecular formula C23H25FN6O2 and a molecular weight of 436.49 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-methyl-2-[1-(2-methylpyrazole-3-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-methyl-2-[1-(2-methylpyrazole-3-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide
PubChem CID110247737
Molecular FormulaC23H25FN6O2
Molecular Weight436.49 g/mol
Exact Mass436.20
IUPAC NameN-[(4-fluorophenyl)methyl]-4-methyl-2-[1-(2-methylpyrazole-3-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide
SMILESCc1nc(C2CCCCN2C(=O)c2ccnn2C)ncc1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C23H25FN6O2/c1-15-18(22(31)26-13-16-6-8-17(24)9-7-16)14-25-21(28-15)19-5-3-4-12-30(19)23(32)20-10-11-27-29(20)2/h6-11,14,19H,3-5,12-13H2,1-2H3,(H,26,31)
InChIKeyXWXYNHXJWDIMRO-UHFFFAOYSA-N
XLogP2.96
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-fluorophenyl)methyl]-4-methyl-2-[(2R)-1-(1-methylpyrazole-4-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 92639724
N-[(4-fluorophenyl)methyl]-4-methyl-2-[1-(pyridine-3-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 110249032
N-[(4-fluorophenyl)methyl]-4-methyl-2-[(3R)-1-(2-methylpyrazole-3-carbonyl)piperidin-3-yl]pyrimidine-5-carboxamide
CID 95806063
N-[(4-fluorophenyl)methyl]-4-methyl-2-[(2R)-1-(pyridine-3-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 92640294
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
2-[(2R)-1-cyclopentylpiperidin-2-yl]-N-[(4-fluorophenyl)methyl]-4-methylpyrimidine-5-carboxamide
CID 92639674
N-[(4-fluorophenyl)methyl]-2-[(2S)-1-[(4-fluorophenyl)methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 92639751
N-[(4-fluorophenyl)methyl]-2-[1-[(4-fluorophenyl)methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 110247725
2-(1-benzoylpiperidin-2-yl)-N-benzyl-4-methylpyrimidine-5-carboxamide
CID 110247749
N-benzyl-4-methyl-2-[(2S)-1-(2-phenylacetyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 92639623
N-benzyl-2-[(2R)-1-[2-(4-fluorophenoxy)acetyl]pyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 92637069

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-methyl-2-[1-(2-methylpyrazole-3-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-methyl-2-[1-(2-methylpyrazole-3-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide (CID 110247737) is N-[(4-fluorophenyl)methyl]-4-methyl-2-[1-(2-methylpyrazole-3-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-methyl-2-[1-(2-methylpyrazole-3-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-methyl-2-[1-(2-methylpyrazole-3-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide is Cc1nc(C2CCCCN2C(=O)c2ccnn2C)ncc1C(=O)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-methyl-2-[1-(2-methylpyrazole-3-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide?
The InChIKey is XWXYNHXJWDIMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN6O2/c1-15-18(22(31)26-13-16-6-8-17(24)9-7-16)14-25-21(28-15)19-5-3-4-12-30(19)23(32)20-10-11-27-29(20)2/h6-11,14,19H,3-5,12-13H2,1-2H3,(H,26,31).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-methyl-2-[1-(2-methylpyrazole-3-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide?
N-[(4-fluorophenyl)methyl]-4-methyl-2-[1-(2-methylpyrazole-3-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide has a molecular weight of 436.49 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-methyl-2-[1-(2-methylpyrazole-3-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 110247737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).