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

C25H32N4O3 — CID 92639401

IUPAC2-[(3R)-1-(cyclopentanecarbonyl)piperidin-3-yl]-N-[(3-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide
SMILESCOc1cccc(CNC(=O)c2cnc([C@@H]3CCCN(C(=O)C4CCCC4)C3)nc2C)c1
InChIInChI=1S/C25H32N4O3/c1-17-22(24(30)27-14-18-7-5-11-21(13-18)32-2)15-26-23(28-17)20-10-6-12-29(16-20)25(31)19-8-3-4-9-19/h5,7,11,13,15,19-20H,3-4,6,8-10,12,14,16H2,1-2H3,(H,27,30)/t20-/m1/s1
InChIKeyUVTLJEKOGAULGT-HXUWFJFHSA-N
MW436.56 g/mol
LogP3.62
Rot. Bonds6

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

2-[(3R)-1-(cyclopentanecarbonyl)piperidin-3-yl]-N-[(3-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide (PubChem CID 92639401) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is 2-[(3R)-1-(cyclopentanecarbonyl)piperidin-3-yl]-N-[(3-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(3R)-1-(cyclopentanecarbonyl)piperidin-3-yl]-N-[(3-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide
PubChem CID92639401
Molecular FormulaC25H32N4O3
Molecular Weight436.56 g/mol
Exact Mass436.25
IUPAC Name2-[(3R)-1-(cyclopentanecarbonyl)piperidin-3-yl]-N-[(3-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide
SMILESCOc1cccc(CNC(=O)c2cnc([C@@H]3CCCN(C(=O)C4CCCC4)C3)nc2C)c1
InChIInChI=1S/C25H32N4O3/c1-17-22(24(30)27-14-18-7-5-11-21(13-18)32-2)15-26-23(28-17)20-10-6-12-29(16-20)25(31)19-8-3-4-9-19/h5,7,11,13,15,19-20H,3-4,6,8-10,12,14,16H2,1-2H3,(H,27,30)/t20-/m1/s1
InChIKeyUVTLJEKOGAULGT-HXUWFJFHSA-N
XLogP3.62
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(3R)-1-(cyclopentanecarbonyl)piperidin-3-yl]-N-[(3-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide with MolForge

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Related Compounds

2-[(3S)-1-benzoylpiperidin-3-yl]-N-[(3-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide
CID 92639400
N-[(3-methoxyphenyl)methyl]-4-methyl-2-[(3R)-1-(2-methylpropanoyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide
CID 92637888
N-[(3-methoxyphenyl)methyl]-4-methyl-2-(1-pyrazin-2-ylpiperidin-3-yl)pyrimidine-5-carboxamide
CID 110249022
2-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-N-[(3-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide
CID 92639388
N-[(3-methoxyphenyl)methyl]-4-methyl-2-[1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrimidine-5-carboxamide
CID 110248020
N-[(3-methoxyphenyl)methyl]-2-[(3R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]-4-methylpyrimidine-5-carboxamide
CID 129361149
2-[1-(cyclopentanecarbonyl)piperidin-3-yl]-N-(4-methoxyphenyl)-4-methylpyrimidine-5-carboxamide
CID 110084692
2-[2-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 110088478
N-[(3-methoxyphenyl)methyl]-4-methyl-2-[(2S)-1-(2-methylpropyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 92639593
N-[(3-methoxyphenyl)methyl]-4-methyl-2-[(3S)-pyrrolidin-3-yl]pyrimidine-5-carboxamide
CID 124960829
N-[(3-methoxyphenyl)methyl]-4-methyl-2-[(3R)-pyrrolidin-3-yl]pyrimidine-5-carboxamide
CID 124960830
N-[(3-methoxyphenyl)methyl]-4-methyl-2-[1-(3-methylbutanoyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 110247769

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-(cyclopentanecarbonyl)piperidin-3-yl]-N-[(3-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide?
The IUPAC name of 2-[(3R)-1-(cyclopentanecarbonyl)piperidin-3-yl]-N-[(3-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide (CID 92639401) is 2-[(3R)-1-(cyclopentanecarbonyl)piperidin-3-yl]-N-[(3-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(3R)-1-(cyclopentanecarbonyl)piperidin-3-yl]-N-[(3-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide?
The canonical SMILES for 2-[(3R)-1-(cyclopentanecarbonyl)piperidin-3-yl]-N-[(3-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide is COc1cccc(CNC(=O)c2cnc([C@@H]3CCCN(C(=O)C4CCCC4)C3)nc2C)c1.
What is the InChIKey of 2-[(3R)-1-(cyclopentanecarbonyl)piperidin-3-yl]-N-[(3-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide?
The InChIKey is UVTLJEKOGAULGT-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H32N4O3/c1-17-22(24(30)27-14-18-7-5-11-21(13-18)32-2)15-26-23(28-17)20-10-6-12-29(16-20)25(31)19-8-3-4-9-19/h5,7,11,13,15,19-20H,3-4,6,8-10,12,14,16H2,1-2H3,(H,27,30)/t20-/m1/s1.
What are the key properties of 2-[(3R)-1-(cyclopentanecarbonyl)piperidin-3-yl]-N-[(3-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide?
2-[(3R)-1-(cyclopentanecarbonyl)piperidin-3-yl]-N-[(3-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide has a molecular weight of 436.56 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-(cyclopentanecarbonyl)piperidin-3-yl]-N-[(3-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 92639401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).