N-benzyl-4-methyl-2-[(3R)-1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]pyrimidine-5-carboxamide

C23H26N6O2 — CID 92639417

IUPACN-benzyl-4-methyl-2-[(3R)-1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]pyrimidine-5-carboxamide
SMILESCc1nc([C@@H]2CCCN(C(=O)c3cn[nH]c3C)C2)ncc1C(=O)NCc1ccccc1
InChIInChI=1S/C23H26N6O2/c1-15-19(22(30)25-11-17-7-4-3-5-8-17)12-24-21(27-15)18-9-6-10-29(14-18)23(31)20-13-26-28-16(20)2/h3-5,7-8,12-13,18H,6,9-11,14H2,1-2H3,(H,25,30)(H,26,28)/t18-/m1/s1
InChIKeyVIMMLHNOEQHPNA-GOSISDBHSA-N
MW418.50 g/mol
LogP2.77
Rot. Bonds5

About N-benzyl-4-methyl-2-[(3R)-1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]pyrimidine-5-carboxamide

N-benzyl-4-methyl-2-[(3R)-1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]pyrimidine-5-carboxamide (PubChem CID 92639417) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is N-benzyl-4-methyl-2-[(3R)-1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-methyl-2-[(3R)-1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]pyrimidine-5-carboxamide
PubChem CID92639417
Molecular FormulaC23H26N6O2
Molecular Weight418.50 g/mol
Exact Mass418.21
IUPAC NameN-benzyl-4-methyl-2-[(3R)-1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]pyrimidine-5-carboxamide
SMILESCc1nc([C@@H]2CCCN(C(=O)c3cn[nH]c3C)C2)ncc1C(=O)NCc1ccccc1
InChIInChI=1S/C23H26N6O2/c1-15-19(22(30)25-11-17-7-4-3-5-8-17)12-24-21(27-15)18-9-6-10-29(14-18)23(31)20-13-26-28-16(20)2/h3-5,7-8,12-13,18H,6,9-11,14H2,1-2H3,(H,25,30)(H,26,28)/t18-/m1/s1
InChIKeyVIMMLHNOEQHPNA-GOSISDBHSA-N
XLogP2.77
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-benzyl-4-methyl-2-[(3R)-1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]pyrimidine-5-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-benzyl-4-methyl-2-[1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidin-3-yl]pyrimidine-5-carboxamide
CID 110248006
N-[(4-fluorophenyl)methyl]-4-methyl-2-[(3R)-1-(2-phenylacetyl)piperidin-3-yl]pyrimidine-5-carboxamide
CID 92636020
2-[(3S)-1-benzoylpiperidin-3-yl]-N-[(3-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide
CID 92639400
N-benzyl-2-[(3S)-1-(dimethylsulfamoyl)piperidin-3-yl]-4-methylpyrimidine-5-carboxamide
CID 95806068
N-[(4-fluorophenyl)methyl]-4-methyl-2-[1-(2-methylpropanoyl)piperidin-3-yl]pyrimidine-5-carboxamide
CID 110084695
N-[(4-fluorophenyl)methyl]-4-methyl-2-[(3R)-1-(2-methylpyrazole-3-carbonyl)piperidin-3-yl]pyrimidine-5-carboxamide
CID 95806063
2-[(3S)-1-(2-cyclopentylacetyl)piperidin-3-yl]-N-[(4-fluorophenyl)methyl]-4-methylpyrimidine-5-carboxamide
CID 92639870
2-[(3R)-1-(cyclopentanecarbonyl)piperidin-3-yl]-N-[(3-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide
CID 92639401
2-[(3S)-1-(2-ethylsulfonylbenzoyl)piperidin-3-yl]-N,4-dimethylpyrimidine-5-carboxamide
CID 92639444
4-methyl-N-phenyl-2-[(3R)-1-(3-phenylpropanoyl)piperidin-3-yl]pyrimidine-5-carboxamide
CID 92639795
2-(1-benzoylpiperidin-2-yl)-N-benzyl-4-methylpyrimidine-5-carboxamide
CID 110247749
2-[(3S)-1-acetylpiperidin-3-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 92639808

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-methyl-2-[(3R)-1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]pyrimidine-5-carboxamide?
The IUPAC name of N-benzyl-4-methyl-2-[(3R)-1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]pyrimidine-5-carboxamide (CID 92639417) is N-benzyl-4-methyl-2-[(3R)-1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-benzyl-4-methyl-2-[(3R)-1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]pyrimidine-5-carboxamide?
The canonical SMILES for N-benzyl-4-methyl-2-[(3R)-1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]pyrimidine-5-carboxamide is Cc1nc([C@@H]2CCCN(C(=O)c3cn[nH]c3C)C2)ncc1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-4-methyl-2-[(3R)-1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]pyrimidine-5-carboxamide?
The InChIKey is VIMMLHNOEQHPNA-GOSISDBHSA-N. The full InChI is InChI=1S/C23H26N6O2/c1-15-19(22(30)25-11-17-7-4-3-5-8-17)12-24-21(27-15)18-9-6-10-29(14-18)23(31)20-13-26-28-16(20)2/h3-5,7-8,12-13,18H,6,9-11,14H2,1-2H3,(H,25,30)(H,26,28)/t18-/m1/s1.
What are the key properties of N-benzyl-4-methyl-2-[(3R)-1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]pyrimidine-5-carboxamide?
N-benzyl-4-methyl-2-[(3R)-1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]pyrimidine-5-carboxamide has a molecular weight of 418.50 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-methyl-2-[(3R)-1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 92639417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).