N,N,4-trimethyl-2-[1-[(3-pyrimidin-2-yloxyphenyl)methyl]piperidin-3-yl]pyrimidine-5-carboxamide

C24H28N6O2 — CID 110084736

IUPACN,N,4-trimethyl-2-[1-[(3-pyrimidin-2-yloxyphenyl)methyl]piperidin-3-yl]pyrimidine-5-carboxamide
SMILESCc1nc(C2CCCN(Cc3cccc(Oc4ncccn4)c3)C2)ncc1C(=O)N(C)C
InChIInChI=1S/C24H28N6O2/c1-17-21(23(31)29(2)3)14-27-22(28-17)19-8-5-12-30(16-19)15-18-7-4-9-20(13-18)32-24-25-10-6-11-26-24/h4,6-7,9-11,13-14,19H,5,8,12,15-16H2,1-3H3
InChIKeyRNEVIJUNTUHFTK-UHFFFAOYSA-N
MW432.53 g/mol
LogP3.45
Rot. Bonds6

About N,N,4-trimethyl-2-[1-[(3-pyrimidin-2-yloxyphenyl)methyl]piperidin-3-yl]pyrimidine-5-carboxamide

N,N,4-trimethyl-2-[1-[(3-pyrimidin-2-yloxyphenyl)methyl]piperidin-3-yl]pyrimidine-5-carboxamide (PubChem CID 110084736) has the molecular formula C24H28N6O2 and a molecular weight of 432.53 g/mol. Its IUPAC name is N,N,4-trimethyl-2-[1-[(3-pyrimidin-2-yloxyphenyl)methyl]piperidin-3-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN,N,4-trimethyl-2-[1-[(3-pyrimidin-2-yloxyphenyl)methyl]piperidin-3-yl]pyrimidine-5-carboxamide
PubChem CID110084736
Molecular FormulaC24H28N6O2
Molecular Weight432.53 g/mol
Exact Mass432.23
IUPAC NameN,N,4-trimethyl-2-[1-[(3-pyrimidin-2-yloxyphenyl)methyl]piperidin-3-yl]pyrimidine-5-carboxamide
SMILESCc1nc(C2CCCN(Cc3cccc(Oc4ncccn4)c3)C2)ncc1C(=O)N(C)C
InChIInChI=1S/C24H28N6O2/c1-17-21(23(31)29(2)3)14-27-22(28-17)19-8-5-12-30(16-19)15-18-7-4-9-20(13-18)32-24-25-10-6-11-26-24/h4,6-7,9-11,13-14,19H,5,8,12,15-16H2,1-3H3
InChIKeyRNEVIJUNTUHFTK-UHFFFAOYSA-N
XLogP3.45
TPSA84.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N,N,4-trimethyl-2-[1-[(3-pyrimidin-2-yloxyphenyl)methyl]piperidin-3-yl]pyrimidine-5-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

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
4-methyl-2-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidine-5-carboxamide
CID 110253776
N-[(3-methoxyphenyl)methyl]-2-[(3R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]-4-methylpyrimidine-5-carboxamide
CID 129361149
2-[(3R)-1-(cyclopentanecarbonyl)piperidin-3-yl]-N-[(3-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide
CID 92639401
N-[(3-methoxyphenyl)methyl]-4-methyl-2-(1-pyrazin-2-ylpiperidin-3-yl)pyrimidine-5-carboxamide
CID 110249022
2-[(3S)-1-benzoylpiperidin-3-yl]-N-[(3-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide
CID 92639400
N,N,4-trimethyl-2-[(3S)-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]pyrimidine-5-carboxamide
CID 95838085
N-[(3-methoxyphenyl)methyl]-4-methyl-2-[(3R)-1-(2-methylpropanoyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide
CID 92637888
N-(4-fluorophenyl)-2-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-4-methylpyrimidine-5-carboxamide
CID 110084861
N,N,4-trimethyl-2-[1-[2-[(2-methyl-1-phenylpropan-2-yl)amino]-2-oxoethyl]piperidin-4-yl]pyrimidine-5-carboxamide
CID 92640331
[4-methyl-2-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 92639352

Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-2-[1-[(3-pyrimidin-2-yloxyphenyl)methyl]piperidin-3-yl]pyrimidine-5-carboxamide?
The IUPAC name of N,N,4-trimethyl-2-[1-[(3-pyrimidin-2-yloxyphenyl)methyl]piperidin-3-yl]pyrimidine-5-carboxamide (CID 110084736) is N,N,4-trimethyl-2-[1-[(3-pyrimidin-2-yloxyphenyl)methyl]piperidin-3-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for N,N,4-trimethyl-2-[1-[(3-pyrimidin-2-yloxyphenyl)methyl]piperidin-3-yl]pyrimidine-5-carboxamide?
The canonical SMILES for N,N,4-trimethyl-2-[1-[(3-pyrimidin-2-yloxyphenyl)methyl]piperidin-3-yl]pyrimidine-5-carboxamide is Cc1nc(C2CCCN(Cc3cccc(Oc4ncccn4)c3)C2)ncc1C(=O)N(C)C.
What is the InChIKey of N,N,4-trimethyl-2-[1-[(3-pyrimidin-2-yloxyphenyl)methyl]piperidin-3-yl]pyrimidine-5-carboxamide?
The InChIKey is RNEVIJUNTUHFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2/c1-17-21(23(31)29(2)3)14-27-22(28-17)19-8-5-12-30(16-19)15-18-7-4-9-20(13-18)32-24-25-10-6-11-26-24/h4,6-7,9-11,13-14,19H,5,8,12,15-16H2,1-3H3.
What are the key properties of N,N,4-trimethyl-2-[1-[(3-pyrimidin-2-yloxyphenyl)methyl]piperidin-3-yl]pyrimidine-5-carboxamide?
N,N,4-trimethyl-2-[1-[(3-pyrimidin-2-yloxyphenyl)methyl]piperidin-3-yl]pyrimidine-5-carboxamide has a molecular weight of 432.53 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-2-[1-[(3-pyrimidin-2-yloxyphenyl)methyl]piperidin-3-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 110084736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).