N-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]benzoyl]phenyl]pyridine-2-carboxamide

C31H28N4O4 — CID 67112599

IUPACN-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]benzoyl]phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(C(=O)c2ccc(NC(=O)c3ccccn3)cc2)cc1)c1ccc(N2CCC(O)CC2)cc1
InChIInChI=1S/C31H28N4O4/c36-27-16-19-35(20-17-27)26-14-8-23(9-15-26)30(38)33-24-10-4-21(5-11-24)29(37)22-6-12-25(13-7-22)34-31(39)28-3-1-2-18-32-28/h1-15,18,27,36H,16-17,19-20H2,(H,33,38)(H,34,39)
InChIKeyKIMWQVLEKRVGSH-UHFFFAOYSA-N
MW520.59 g/mol
LogP4.78
Rot. Bonds7

About N-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]benzoyl]phenyl]pyridine-2-carboxamide

N-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]benzoyl]phenyl]pyridine-2-carboxamide (PubChem CID 67112599) has the molecular formula C31H28N4O4 and a molecular weight of 520.59 g/mol. Its IUPAC name is N-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]benzoyl]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]benzoyl]phenyl]pyridine-2-carboxamide
PubChem CID67112599
Molecular FormulaC31H28N4O4
Molecular Weight520.59 g/mol
Exact Mass520.21
IUPAC NameN-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]benzoyl]phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(C(=O)c2ccc(NC(=O)c3ccccn3)cc2)cc1)c1ccc(N2CCC(O)CC2)cc1
InChIInChI=1S/C31H28N4O4/c36-27-16-19-35(20-17-27)26-14-8-23(9-15-26)30(38)33-24-10-4-21(5-11-24)29(37)22-6-12-25(13-7-22)34-31(39)28-3-1-2-18-32-28/h1-15,18,27,36H,16-17,19-20H2,(H,33,38)(H,34,39)
InChIKeyKIMWQVLEKRVGSH-UHFFFAOYSA-N
XLogP4.78
TPSA111.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.59
LogP ≤ 54.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(4-piperidin-1-ylphenyl)carbamoyl]phenyl]pyridine-2-carboxamide
CID 46489538
N-(4-chlorophenyl)-4-(4-hydroxypiperidin-1-yl)benzamide
CID 111331512
N-(4-benzoylphenyl)pyridine-2-carboxamide
CID 157248993
N-[4-[4-[4-(4-hydroxypiperidin-1-yl)anilino]benzoyl]phenyl]-1H-pyrazole-4-carboxamide
CID 67113232
1-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]benzoyl]phenyl]pyrrole-2-carboxamide
CID 175279921
4-benzoyl-N-(4-piperidin-1-ylphenyl)benzamide
CID 7999170
N-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]anilino]phenyl]-1H-pyrrole-3-carboxamide
CID 67114265
N-[4-(4-aminoanilino)phenyl]-4-(4-hydroxypiperidin-1-yl)benzamide
CID 67112995
4-(4-hydroxypiperidin-1-yl)-N-[4-[4-(4,5,6,7-tetrahydroindol-1-yl)benzoyl]phenyl]benzamide
CID 141334575
4-(pyridine-2-carbonylamino)benzoic acid
CID 16770258
N-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]benzoyl]phenyl]-1,2,5-trimethylpyrrole-3-carboxamide
CID 67114185
N-(4-benzoylphenyl)-4-piperazin-1-ylbenzamide
CID 174547037

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]benzoyl]phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]benzoyl]phenyl]pyridine-2-carboxamide (CID 67112599) is N-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]benzoyl]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]benzoyl]phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]benzoyl]phenyl]pyridine-2-carboxamide is O=C(Nc1ccc(C(=O)c2ccc(NC(=O)c3ccccn3)cc2)cc1)c1ccc(N2CCC(O)CC2)cc1.
What is the InChIKey of N-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]benzoyl]phenyl]pyridine-2-carboxamide?
The InChIKey is KIMWQVLEKRVGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N4O4/c36-27-16-19-35(20-17-27)26-14-8-23(9-15-26)30(38)33-24-10-4-21(5-11-24)29(37)22-6-12-25(13-7-22)34-31(39)28-3-1-2-18-32-28/h1-15,18,27,36H,16-17,19-20H2,(H,33,38)(H,34,39).
What are the key properties of N-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]benzoyl]phenyl]pyridine-2-carboxamide?
N-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]benzoyl]phenyl]pyridine-2-carboxamide has a molecular weight of 520.59 g/mol, XLogP of 4.78, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]benzoyl]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 67112599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).