3-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-N-(pyridin-3-ylmethyl)benzamide

C24H29N5O2 — CID 42557626

IUPAC3-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-N-(pyridin-3-ylmethyl)benzamide
SMILESCc1c(CN2CCC(Oc3cccc(C(=O)NCc4cccnc4)c3)CC2)cnn1C
InChIInChI=1S/C24H29N5O2/c1-18-21(16-27-28(18)2)17-29-11-8-22(9-12-29)31-23-7-3-6-20(13-23)24(30)26-15-19-5-4-10-25-14-19/h3-7,10,13-14,16,22H,8-9,11-12,15,17H2,1-2H3,(H,26,30)
InChIKeyGNLUZFLYMBAVJX-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.10
Rot. Bonds7

About 3-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-N-(pyridin-3-ylmethyl)benzamide

3-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 42557626) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is 3-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-N-(pyridin-3-ylmethyl)benzamide
PubChem CID42557626
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC Name3-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-N-(pyridin-3-ylmethyl)benzamide
SMILESCc1c(CN2CCC(Oc3cccc(C(=O)NCc4cccnc4)c3)CC2)cnn1C
InChIInChI=1S/C24H29N5O2/c1-18-21(16-27-28(18)2)17-29-11-8-22(9-12-29)31-23-7-3-6-20(13-23)24(30)26-15-19-5-4-10-25-14-19/h3-7,10,13-14,16,22H,8-9,11-12,15,17H2,1-2H3,(H,26,30)
InChIKeyGNLUZFLYMBAVJX-UHFFFAOYSA-N
XLogP3.10
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(pyridin-3-ylmethyl)-3-[1-(thiophen-3-ylmethyl)piperidin-4-yl]oxybenzamide
CID 42462930
3-[1-(oxolane-3-carbonyl)piperidin-4-yl]oxy-N-(pyridin-3-ylmethyl)benzamide
CID 45214832
N-benzyl-3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxybenzamide
CID 42526081
N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 56552164
[4-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 42512447
3-methyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895892
3-propan-2-yloxy-N-(pyridin-3-ylmethyl)benzamide
CID 4552071
1-methyl-N-(pyridin-3-ylmethyl)indazole-6-carboxamide
CID 110475596
1-(pyridin-4-ylmethyl)-N-[1-[[3-(pyridin-3-ylmethylcarbamoyl)phenyl]methyl]piperidin-4-yl]piperidine-4-carboxamide
CID 10165231
3-(pyridin-3-ylmethylcarbamoyl)benzoic acid
CID 43452921
3-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide
CID 42527160
1-N-[(4-methylphenyl)methyl]-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
CID 109054359

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 3-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-N-(pyridin-3-ylmethyl)benzamide (CID 42557626) is 3-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 3-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 3-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-N-(pyridin-3-ylmethyl)benzamide is Cc1c(CN2CCC(Oc3cccc(C(=O)NCc4cccnc4)c3)CC2)cnn1C.
What is the InChIKey of 3-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is GNLUZFLYMBAVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-18-21(16-27-28(18)2)17-29-11-8-22(9-12-29)31-23-7-3-6-20(13-23)24(30)26-15-19-5-4-10-25-14-19/h3-7,10,13-14,16,22H,8-9,11-12,15,17H2,1-2H3,(H,26,30).
What are the key properties of 3-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-N-(pyridin-3-ylmethyl)benzamide?
3-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 419.53 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 42557626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).