N-[1-[4-(pyrazol-1-ylmethyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide

C22H23N5O2 — CID 47836552

IUPACN-[1-[4-(pyrazol-1-ylmethyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide
SMILESO=C(NC1CCN(C(=O)c2ccc(Cn3cccn3)cc2)CC1)c1cccnc1
InChIInChI=1S/C22H23N5O2/c28-21(19-3-1-10-23-15-19)25-20-8-13-26(14-9-20)22(29)18-6-4-17(5-7-18)16-27-12-2-11-24-27/h1-7,10-12,15,20H,8-9,13-14,16H2,(H,25,28)
InChIKeyJMJQXUMLQMAJAP-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.36
Rot. Bonds5

About N-[1-[4-(pyrazol-1-ylmethyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide

N-[1-[4-(pyrazol-1-ylmethyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 47836552) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-[1-[4-(pyrazol-1-ylmethyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(pyrazol-1-ylmethyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide
PubChem CID47836552
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC NameN-[1-[4-(pyrazol-1-ylmethyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide
SMILESO=C(NC1CCN(C(=O)c2ccc(Cn3cccn3)cc2)CC1)c1cccnc1
InChIInChI=1S/C22H23N5O2/c28-21(19-3-1-10-23-15-19)25-20-8-13-26(14-9-20)22(29)18-6-4-17(5-7-18)16-27-12-2-11-24-27/h1-7,10-12,15,20H,8-9,13-14,16H2,(H,25,28)
InChIKeyJMJQXUMLQMAJAP-UHFFFAOYSA-N
XLogP2.36
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 47796919
N-cyclopentyl-4-(pyrazol-1-ylmethyl)benzamide
CID 18136591
2-chloro-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide
CID 108563315
N-[1-(2-chlorobenzoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 47797182
N-[1-[4-(dimethylsulfamoyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide
CID 47797104
[4-(pyrazol-1-ylmethyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 90495097
N-[(3R)-1-methylpiperidin-3-yl]-4-(pyrazol-1-ylmethyl)benzamide
CID 92608066
4-(pyrazol-1-ylmethyl)-N-pyrrolidin-3-ylbenzamide
CID 68738531
N-(4-phenylcyclohexyl)-4-(pyrazol-1-ylmethyl)benzamide
CID 55594865
N-[1-(benzylcarbamoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 47836760
N-[1-(butylcarbamoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 127165622
N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyridine-4-carboxamide
CID 110821209

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(pyrazol-1-ylmethyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of N-[1-[4-(pyrazol-1-ylmethyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide (CID 47836552) is N-[1-[4-(pyrazol-1-ylmethyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-[4-(pyrazol-1-ylmethyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[1-[4-(pyrazol-1-ylmethyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide is O=C(NC1CCN(C(=O)c2ccc(Cn3cccn3)cc2)CC1)c1cccnc1.
What is the InChIKey of N-[1-[4-(pyrazol-1-ylmethyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is JMJQXUMLQMAJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c28-21(19-3-1-10-23-15-19)25-20-8-13-26(14-9-20)22(29)18-6-4-17(5-7-18)16-27-12-2-11-24-27/h1-7,10-12,15,20H,8-9,13-14,16H2,(H,25,28).
What are the key properties of N-[1-[4-(pyrazol-1-ylmethyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide?
N-[1-[4-(pyrazol-1-ylmethyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(pyrazol-1-ylmethyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 47836552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).