N-[(3-methoxyphenyl)methyl]-4-methyl-2-(1-pyrazin-2-ylpiperidin-3-yl)pyrimidine-5-carboxamide

C23H26N6O2 — CID 110249022

IUPACN-[(3-methoxyphenyl)methyl]-4-methyl-2-(1-pyrazin-2-ylpiperidin-3-yl)pyrimidine-5-carboxamide
SMILESCOc1cccc(CNC(=O)c2cnc(C3CCCN(c4cnccn4)C3)nc2C)c1
InChIInChI=1S/C23H26N6O2/c1-16-20(23(30)27-12-17-5-3-7-19(11-17)31-2)13-26-22(28-16)18-6-4-10-29(15-18)21-14-24-8-9-25-21/h3,5,7-9,11,13-14,18H,4,6,10,12,15H2,1-2H3,(H,27,30)
InChIKeyZBSPPPQXRHZFCF-UHFFFAOYSA-N
MW418.50 g/mol
LogP2.90
Rot. Bonds6

About N-[(3-methoxyphenyl)methyl]-4-methyl-2-(1-pyrazin-2-ylpiperidin-3-yl)pyrimidine-5-carboxamide

N-[(3-methoxyphenyl)methyl]-4-methyl-2-(1-pyrazin-2-ylpiperidin-3-yl)pyrimidine-5-carboxamide (PubChem CID 110249022) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-4-methyl-2-(1-pyrazin-2-ylpiperidin-3-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-4-methyl-2-(1-pyrazin-2-ylpiperidin-3-yl)pyrimidine-5-carboxamide
PubChem CID110249022
Molecular FormulaC23H26N6O2
Molecular Weight418.50 g/mol
Exact Mass418.21
IUPAC NameN-[(3-methoxyphenyl)methyl]-4-methyl-2-(1-pyrazin-2-ylpiperidin-3-yl)pyrimidine-5-carboxamide
SMILESCOc1cccc(CNC(=O)c2cnc(C3CCCN(c4cnccn4)C3)nc2C)c1
InChIInChI=1S/C23H26N6O2/c1-16-20(23(30)27-12-17-5-3-7-19(11-17)31-2)13-26-22(28-16)18-6-4-10-29(15-18)21-14-24-8-9-25-21/h3,5,7-9,11,13-14,18H,4,6,10,12,15H2,1-2H3,(H,27,30)
InChIKeyZBSPPPQXRHZFCF-UHFFFAOYSA-N
XLogP2.90
TPSA93.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(3R)-1-(cyclopentanecarbonyl)piperidin-3-yl]-N-[(3-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide
CID 92639401
2-[(3S)-1-benzoylpiperidin-3-yl]-N-[(3-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide
CID 92639400
N-[(3-methoxyphenyl)methyl]-4-methyl-2-[1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrimidine-5-carboxamide
CID 110248020
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-[(3R)-1-(2-methylpropanoyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide
CID 92637888
N-[(3-methoxyphenyl)methyl]-2-[(3R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]-4-methylpyrimidine-5-carboxamide
CID 129361149
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-[(2S)-1-(2-methylpropyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 92639593
N-[(3-methoxyphenyl)methyl]-4-methyl-2-[1-(3-methylbutanoyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 110247769
N-(4-methoxyphenyl)-4-methyl-2-[(3R)-1-(pyrazine-2-carbonyl)piperidin-3-yl]pyrimidine-5-carboxamide
CID 92639767
N-benzyl-2-[(3S)-1-(dimethylsulfamoyl)piperidin-3-yl]-4-methylpyrimidine-5-carboxamide
CID 95806068

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-4-methyl-2-(1-pyrazin-2-ylpiperidin-3-yl)pyrimidine-5-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-4-methyl-2-(1-pyrazin-2-ylpiperidin-3-yl)pyrimidine-5-carboxamide (CID 110249022) is N-[(3-methoxyphenyl)methyl]-4-methyl-2-(1-pyrazin-2-ylpiperidin-3-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-4-methyl-2-(1-pyrazin-2-ylpiperidin-3-yl)pyrimidine-5-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-4-methyl-2-(1-pyrazin-2-ylpiperidin-3-yl)pyrimidine-5-carboxamide is COc1cccc(CNC(=O)c2cnc(C3CCCN(c4cnccn4)C3)nc2C)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-4-methyl-2-(1-pyrazin-2-ylpiperidin-3-yl)pyrimidine-5-carboxamide?
The InChIKey is ZBSPPPQXRHZFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2/c1-16-20(23(30)27-12-17-5-3-7-19(11-17)31-2)13-26-22(28-16)18-6-4-10-29(15-18)21-14-24-8-9-25-21/h3,5,7-9,11,13-14,18H,4,6,10,12,15H2,1-2H3,(H,27,30).
What are the key properties of N-[(3-methoxyphenyl)methyl]-4-methyl-2-(1-pyrazin-2-ylpiperidin-3-yl)pyrimidine-5-carboxamide?
N-[(3-methoxyphenyl)methyl]-4-methyl-2-(1-pyrazin-2-ylpiperidin-3-yl)pyrimidine-5-carboxamide has a molecular weight of 418.50 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-4-methyl-2-(1-pyrazin-2-ylpiperidin-3-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 110249022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).