N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide

C26H31N5O2 — CID 25280321

IUPACN-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
SMILESCc1cc(C)nc(CCNC(=O)c2ccc(OC3CCN(Cc4ccccn4)CC3)cc2)n1
InChIInChI=1S/C26H31N5O2/c1-19-17-20(2)30-25(29-19)10-14-28-26(32)21-6-8-23(9-7-21)33-24-11-15-31(16-12-24)18-22-5-3-4-13-27-22/h3-9,13,17,24H,10-12,14-16,18H2,1-2H3,(H,28,32)
InChIKeyJOHGMVVQRZXPLV-UHFFFAOYSA-N
MW445.57 g/mol
LogP3.50
Rot. Bonds8

About N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide

N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide (PubChem CID 25280321) has the molecular formula C26H31N5O2 and a molecular weight of 445.57 g/mol. Its IUPAC name is N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide.

Molecular Properties

Compound NameN-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
PubChem CID25280321
Molecular FormulaC26H31N5O2
Molecular Weight445.57 g/mol
Exact Mass445.25
IUPAC NameN-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
SMILESCc1cc(C)nc(CCNC(=O)c2ccc(OC3CCN(Cc4ccccn4)CC3)cc2)n1
InChIInChI=1S/C26H31N5O2/c1-19-17-20(2)30-25(29-19)10-14-28-26(32)21-6-8-23(9-7-21)33-24-11-15-31(16-12-24)18-22-5-3-4-13-27-22/h3-9,13,17,24H,10-12,14-16,18H2,1-2H3,(H,28,32)
InChIKeyJOHGMVVQRZXPLV-UHFFFAOYSA-N
XLogP3.50
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.57
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Filorexant
CID 25128145
Dora-22
CID 25126515
4-{4-[5-(4-Fluoro-phenyl)-3-piperidin-4-yl-3H-imidazol-4-yl]-pyrimidin-2-yloxy}-benzamide
CID 9890357
2-(Methylamino)pyrimidine 57
CID 16108996
2-(Methylamino)pyrimidine 58
CID 16108997
2-(Methylamino)pyrimidine 52
CID 23646931
2-(Methylamino)pyrimidine 53
CID 23646932
4-Pyrimidinecarboxamide,2-amino-6-(3-methoxyphenyl)-n-(2-pyridinylmethyl)-
CID 44520951
4-Pyrimidinecarboxamide,2-amino-6-(3-methoxyphenyl)-n-[(3-methyl-2-pyridinyl)methyl]-
CID 44520964
(3-ethoxy-6-methyl-2-pyridinyl)-[(1R,4S,6R)-4-[[(5-methylpyrimidin-2-yl)amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone
CID 46218917
1-(3,5-Dimethyl-4-methoxybenzoyl)-4-[3-[(1-methylethyl)amino]-2-pyridinyl]piperazine
CID 455376
4-ethoxy-N-(4-methylpyridin-2-yl)benzamide
CID 803159

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide?
The IUPAC name of N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide (CID 25280321) is N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide.
What is the SMILES notation for N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide?
The canonical SMILES for N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide is Cc1cc(C)nc(CCNC(=O)c2ccc(OC3CCN(Cc4ccccn4)CC3)cc2)n1.
What is the InChIKey of N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide?
The InChIKey is JOHGMVVQRZXPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O2/c1-19-17-20(2)30-25(29-19)10-14-28-26(32)21-6-8-23(9-7-21)33-24-11-15-31(16-12-24)18-22-5-3-4-13-27-22/h3-9,13,17,24H,10-12,14-16,18H2,1-2H3,(H,28,32).
What are the key properties of N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide?
N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide has a molecular weight of 445.57 g/mol, XLogP of 3.50, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide is sourced from PubChem (CID 25280321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).