4-methoxy-N-[2-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide

C22H23N5O3 — CID 24794162

IUPAC4-methoxy-N-[2-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccnn2C2CCN(C(=O)c3cccnc3)CC2)cc1
InChIInChI=1S/C22H23N5O3/c1-30-19-6-4-16(5-7-19)21(28)25-20-8-12-24-27(20)18-9-13-26(14-10-18)22(29)17-3-2-11-23-15-17/h2-8,11-12,15,18H,9-10,13-14H2,1H3,(H,25,28)
InChIKeyCNOKPNVBRXRUED-UHFFFAOYSA-N
MW405.46 g/mol
LogP3.02
Rot. Bonds5

About 4-methoxy-N-[2-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide

4-methoxy-N-[2-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide (PubChem CID 24794162) has the molecular formula C22H23N5O3 and a molecular weight of 405.46 g/mol. Its IUPAC name is 4-methoxy-N-[2-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide
PubChem CID24794162
Molecular FormulaC22H23N5O3
Molecular Weight405.46 g/mol
Exact Mass405.18
IUPAC Name4-methoxy-N-[2-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccnn2C2CCN(C(=O)c3cccnc3)CC2)cc1
InChIInChI=1S/C22H23N5O3/c1-30-19-6-4-16(5-7-19)21(28)25-20-8-12-24-27(20)18-9-13-26(14-10-18)22(29)17-3-2-11-23-15-17/h2-8,11-12,15,18H,9-10,13-14H2,1H3,(H,25,28)
InChIKeyCNOKPNVBRXRUED-UHFFFAOYSA-N
XLogP3.02
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide?
The IUPAC name of 4-methoxy-N-[2-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide (CID 24794162) is 4-methoxy-N-[2-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide.
What is the SMILES notation for 4-methoxy-N-[2-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide?
The canonical SMILES for 4-methoxy-N-[2-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide is COc1ccc(C(=O)Nc2ccnn2C2CCN(C(=O)c3cccnc3)CC2)cc1.
What is the InChIKey of 4-methoxy-N-[2-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide?
The InChIKey is CNOKPNVBRXRUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3/c1-30-19-6-4-16(5-7-19)21(28)25-20-8-12-24-27(20)18-9-13-26(14-10-18)22(29)17-3-2-11-23-15-17/h2-8,11-12,15,18H,9-10,13-14H2,1H3,(H,25,28).
What are the key properties of 4-methoxy-N-[2-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide?
4-methoxy-N-[2-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide has a molecular weight of 405.46 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 24794162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).