N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]pyridine-3-carboxamide

C22H22N4O2 — CID 47796919

IUPACN-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]pyridine-3-carboxamide
SMILESO=C(NC1CCN(C(=O)c2ccc(-n3cccc3)cc2)CC1)c1cccnc1
InChIInChI=1S/C22H22N4O2/c27-21(18-4-3-11-23-16-18)24-19-9-14-26(15-10-19)22(28)17-5-7-20(8-6-17)25-12-1-2-13-25/h1-8,11-13,16,19H,9-10,14-15H2,(H,24,27)
InChIKeyOPOZHECFTUSQCF-UHFFFAOYSA-N
MW374.44 g/mol
LogP2.91
Rot. Bonds4

About N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]pyridine-3-carboxamide

N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 47796919) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]pyridine-3-carboxamide
PubChem CID47796919
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC NameN-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]pyridine-3-carboxamide
SMILESO=C(NC1CCN(C(=O)c2ccc(-n3cccc3)cc2)CC1)c1cccnc1
InChIInChI=1S/C22H22N4O2/c27-21(18-4-3-11-23-16-18)24-19-9-14-26(15-10-19)22(28)17-5-7-20(8-6-17)25-12-1-2-13-25/h1-8,11-13,16,19H,9-10,14-15H2,(H,24,27)
InChIKeyOPOZHECFTUSQCF-UHFFFAOYSA-N
XLogP2.91
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[4-(pyrazol-1-ylmethyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide
CID 47836552
N-[1-[4-(dimethylsulfamoyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide
CID 47797104
N-[1-(2-chlorobenzoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 47797182
N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]thiophene-2-carboxamide
CID 108555927
N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]-2-sulfanylbenzamide
CID 108554724
2-chloro-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide
CID 108563315
N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyridine-4-carboxamide
CID 110821209
N-[2-oxo-2-[[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]amino]ethyl]benzamide
CID 108550446
2-phenyl-N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]acetamide
CID 108551296
N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide
CID 108554779
N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide
CID 47796880
phenyl 4-(pyridine-3-carbonylamino)piperidine-1-carboxylate
CID 110821885

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]pyridine-3-carboxamide (CID 47796919) is N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]pyridine-3-carboxamide is O=C(NC1CCN(C(=O)c2ccc(-n3cccc3)cc2)CC1)c1cccnc1.
What is the InChIKey of N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is OPOZHECFTUSQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c27-21(18-4-3-11-23-16-18)24-19-9-14-26(15-10-19)22(28)17-5-7-20(8-6-17)25-12-1-2-13-25/h1-8,11-13,16,19H,9-10,14-15H2,(H,24,27).
What are the key properties of N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]pyridine-3-carboxamide?
N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 47796919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).