4-[1,3-dimethyl-4-(2-pyridin-3-ylpiperidine-1-carbonyl)pyrazol-5-yl]oxybenzamide

C23H25N5O3 — CID 71561501

IUPAC4-[1,3-dimethyl-4-(2-pyridin-3-ylpiperidine-1-carbonyl)pyrazol-5-yl]oxybenzamide
SMILESCc1nn(C)c(Oc2ccc(C(N)=O)cc2)c1C(=O)N1CCCCC1c1cccnc1
InChIInChI=1S/C23H25N5O3/c1-15-20(22(30)28-13-4-3-7-19(28)17-6-5-12-25-14-17)23(27(2)26-15)31-18-10-8-16(9-11-18)21(24)29/h5-6,8-12,14,19H,3-4,7,13H2,1-2H3,(H2,24,29)
InChIKeyQEQOBJFXAMFYQH-UHFFFAOYSA-N
MW419.49 g/mol
LogP3.38
Rot. Bonds5

About 4-[1,3-dimethyl-4-(2-pyridin-3-ylpiperidine-1-carbonyl)pyrazol-5-yl]oxybenzamide

4-[1,3-dimethyl-4-(2-pyridin-3-ylpiperidine-1-carbonyl)pyrazol-5-yl]oxybenzamide (PubChem CID 71561501) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is 4-[1,3-dimethyl-4-(2-pyridin-3-ylpiperidine-1-carbonyl)pyrazol-5-yl]oxybenzamide.

Molecular Properties

Compound Name4-[1,3-dimethyl-4-(2-pyridin-3-ylpiperidine-1-carbonyl)pyrazol-5-yl]oxybenzamide
PubChem CID71561501
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC Name4-[1,3-dimethyl-4-(2-pyridin-3-ylpiperidine-1-carbonyl)pyrazol-5-yl]oxybenzamide
SMILESCc1nn(C)c(Oc2ccc(C(N)=O)cc2)c1C(=O)N1CCCCC1c1cccnc1
InChIInChI=1S/C23H25N5O3/c1-15-20(22(30)28-13-4-3-7-19(28)17-6-5-12-25-14-17)23(27(2)26-15)31-18-10-8-16(9-11-18)21(24)29/h5-6,8-12,14,19H,3-4,7,13H2,1-2H3,(H2,24,29)
InChIKeyQEQOBJFXAMFYQH-UHFFFAOYSA-N
XLogP3.38
TPSA103.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-Methoxy-2-methyl-N-(4-(4-(4-(trifluoromethoxy)phenyl)piperidin-1-yl)benzyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 122188597
2-[3-[4-[[(3R,5S)-3,5-dimethylpiperazin-1-yl]methyl]phenyl]phenoxy]-N-[4-[(1,5-dimethylpyrazole-3-carbonyl)amino]cyclohexyl]-5-fluoropyridine-3-carboxamide
CID 44518169
2-[3-[3-[[(3R,5S)-3,5-dimethylpiperazin-1-yl]methyl]phenyl]phenoxy]-N-[4-[(1,5-dimethylpyrazole-3-carbonyl)amino]cyclohexyl]-5-fluoropyridine-3-carboxamide
CID 59190479
2-[3-[4-[3-[(3S,5R)-3,5-dimethylpiperazin-1-yl]propyl]phenyl]phenoxy]-N-[4-[(1,5-dimethylpyrazole-3-carbonyl)amino]cyclohexyl]-5-fluoropyridine-3-carboxamide
CID 59190548
5-(2-ethoxyethoxy)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 57400556
6-{4-[3-((R)-2-Methyl-pyrrolidin-1-yl)-propoxy]-phenyl}-4-pyridin-2-yl-2H-pyridazin-3-one
CID 24994744
5-[4-[4-(2-Methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-3-carbaldehyde
CID 25071385
N-(2-(4-Ethoxybenzamido)ethyl)-3-methyl-1-phenyl-1H-pyrazole-4-carboxamide
CID 46884873
5-(1-Methyl-1H-pyrazol-5-yl)-2-[(phenyl methyl)oxy]-N-3-pyridinylbenzamide
CID 67107000
5-(1-methylpyrazol-4-yl)-2-phenylmethoxy-N-pyridin-3-ylbenzamide
CID 69937003
N-[2-methyl-5-(1,3,5-trimethylpyrazol-4-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 70692760
US10138229, Example 29
CID 89968957

Frequently Asked Questions

What is the IUPAC name of 4-[1,3-dimethyl-4-(2-pyridin-3-ylpiperidine-1-carbonyl)pyrazol-5-yl]oxybenzamide?
The IUPAC name of 4-[1,3-dimethyl-4-(2-pyridin-3-ylpiperidine-1-carbonyl)pyrazol-5-yl]oxybenzamide (CID 71561501) is 4-[1,3-dimethyl-4-(2-pyridin-3-ylpiperidine-1-carbonyl)pyrazol-5-yl]oxybenzamide.
What is the SMILES notation for 4-[1,3-dimethyl-4-(2-pyridin-3-ylpiperidine-1-carbonyl)pyrazol-5-yl]oxybenzamide?
The canonical SMILES for 4-[1,3-dimethyl-4-(2-pyridin-3-ylpiperidine-1-carbonyl)pyrazol-5-yl]oxybenzamide is Cc1nn(C)c(Oc2ccc(C(N)=O)cc2)c1C(=O)N1CCCCC1c1cccnc1.
What is the InChIKey of 4-[1,3-dimethyl-4-(2-pyridin-3-ylpiperidine-1-carbonyl)pyrazol-5-yl]oxybenzamide?
The InChIKey is QEQOBJFXAMFYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3/c1-15-20(22(30)28-13-4-3-7-19(28)17-6-5-12-25-14-17)23(27(2)26-15)31-18-10-8-16(9-11-18)21(24)29/h5-6,8-12,14,19H,3-4,7,13H2,1-2H3,(H2,24,29).
What are the key properties of 4-[1,3-dimethyl-4-(2-pyridin-3-ylpiperidine-1-carbonyl)pyrazol-5-yl]oxybenzamide?
4-[1,3-dimethyl-4-(2-pyridin-3-ylpiperidine-1-carbonyl)pyrazol-5-yl]oxybenzamide has a molecular weight of 419.49 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1,3-dimethyl-4-(2-pyridin-3-ylpiperidine-1-carbonyl)pyrazol-5-yl]oxybenzamide is sourced from PubChem (CID 71561501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).