N-[(1-ethylpyrazol-4-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide

C24H29N5O2 — CID 24791409

IUPACN-[(1-ethylpyrazol-4-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
SMILESCCn1cc(CNC(=O)c2ccc(OC3CCN(Cc4ccccn4)CC3)cc2)cn1
InChIInChI=1S/C24H29N5O2/c1-2-29-17-19(16-27-29)15-26-24(30)20-6-8-22(9-7-20)31-23-10-13-28(14-11-23)18-21-5-3-4-12-25-21/h3-9,12,16-17,23H,2,10-11,13-15,18H2,1H3,(H,26,30)
InChIKeyVZWGTIKXYXBGIA-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.27
Rot. Bonds8

About N-[(1-ethylpyrazol-4-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide

N-[(1-ethylpyrazol-4-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide (PubChem CID 24791409) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
PubChem CID24791409
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC NameN-[(1-ethylpyrazol-4-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
SMILESCCn1cc(CNC(=O)c2ccc(OC3CCN(Cc4ccccn4)CC3)cc2)cn1
InChIInChI=1S/C24H29N5O2/c1-2-29-17-19(16-27-29)15-26-24(30)20-6-8-22(9-7-20)31-23-10-13-28(14-11-23)18-21-5-3-4-12-25-21/h3-9,12,16-17,23H,2,10-11,13-15,18H2,1H3,(H,26,30)
InChIKeyVZWGTIKXYXBGIA-UHFFFAOYSA-N
XLogP3.27
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-phenoxy-N-(pyridin-2-ylmethyl)benzamide
CID 2352168
4-ethoxy-N'-[phenyl(2-pyridinyl)methylene]benzohydrazide
CID 5411787
N-ethyl-3-(1-methyl-1H-1,2,3-triazol-4-yl)-4-(pyridin-2-ylmethoxy)benzamide
CID 155818570
5-(2-butoxy-5-acetylpyridin-3-yl)-3-ethyl-2-(pyridin-2-ylmethyl)-2H,6H,7H-pyrazolo[4,3-d]pyrimidin-7-one
CID 135520505
N-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)H-pyrazolo[1,5-a]pyridine-3-carboxamide
CID 11057969
5-(2-ethoxyethoxy)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 57400556
Pyridine-2-carboxylic acid [3-(4-isopropoxy-benzoylamino)-propyl]-amide
CID 2985370
N-{3-[(4-methoxybenzoyl)amino]propyl}-2-pyridinecarboxamide
CID 2988566
(4-Methoxyphenyl)(4-(2-(pyridin-2-yl)ethyl)piperazin-1-yl)methanone hydrochloride
CID 24761156
4-propan-2-yloxy-N-(pyridin-3-ylmethyl)benzamide
CID 841534
N-[2-(3,4-diethoxyphenyl)ethyl]-2-pyrazolo[1,5-a]pyridinecarboxamide
CID 9550757
N-(2-(4-ethoxybenzamido)ethyl)-1-phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 11857040

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide (CID 24791409) is N-[(1-ethylpyrazol-4-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide is CCn1cc(CNC(=O)c2ccc(OC3CCN(Cc4ccccn4)CC3)cc2)cn1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide?
The InChIKey is VZWGTIKXYXBGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-2-29-17-19(16-27-29)15-26-24(30)20-6-8-22(9-7-20)31-23-10-13-28(14-11-23)18-21-5-3-4-12-25-21/h3-9,12,16-17,23H,2,10-11,13-15,18H2,1H3,(H,26,30).
What are the key properties of N-[(1-ethylpyrazol-4-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide?
N-[(1-ethylpyrazol-4-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide has a molecular weight of 419.53 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-4-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide is sourced from PubChem (CID 24791409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).