N-[4-[(4-piperidin-1-ylphenyl)carbamoyl]phenyl]pyridine-2-carboxamide

C24H24N4O2 — CID 46489538

IUPACN-[4-[(4-piperidin-1-ylphenyl)carbamoyl]phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(NC(=O)c2ccccn2)cc1
InChIInChI=1S/C24H24N4O2/c29-23(26-20-11-13-21(14-12-20)28-16-4-1-5-17-28)18-7-9-19(10-8-18)27-24(30)22-6-2-3-15-25-22/h2-3,6-15H,1,4-5,16-17H2,(H,26,29)(H,27,30)
InChIKeyGHOHQQSLLHKSQG-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.58
Rot. Bonds5

About N-[4-[(4-piperidin-1-ylphenyl)carbamoyl]phenyl]pyridine-2-carboxamide

N-[4-[(4-piperidin-1-ylphenyl)carbamoyl]phenyl]pyridine-2-carboxamide (PubChem CID 46489538) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-[4-[(4-piperidin-1-ylphenyl)carbamoyl]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-piperidin-1-ylphenyl)carbamoyl]phenyl]pyridine-2-carboxamide
PubChem CID46489538
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC NameN-[4-[(4-piperidin-1-ylphenyl)carbamoyl]phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(NC(=O)c2ccccn2)cc1
InChIInChI=1S/C24H24N4O2/c29-23(26-20-11-13-21(14-12-20)28-16-4-1-5-17-28)18-7-9-19(10-8-18)27-24(30)22-6-2-3-15-25-22/h2-3,6-15H,1,4-5,16-17H2,(H,26,29)(H,27,30)
InChIKeyGHOHQQSLLHKSQG-UHFFFAOYSA-N
XLogP4.58
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(azepan-1-yl)phenyl]-4-(3-chloro-2-pyridinyl)benzamide
CID 11153979
N-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]benzoyl]phenyl]pyridine-2-carboxamide
CID 67112599
N-phenyl-4-piperidin-1-ylbenzamide
CID 53282261
4-benzoyl-N-(4-piperidin-1-ylphenyl)benzamide
CID 7999170
N-[4-(4-pyrrolidin-1-ylanilino)phenyl]benzamide
CID 112988758
4-phenoxy-N-(4-piperidin-1-ylphenyl)benzamide
CID 7922461
N-(4-piperidin-1-ylphenyl)-5-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109191130
N-(4-piperidin-1-ylphenyl)-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109080459
N-(4-pyrrolidin-1-ylphenyl)pyridazine-3-carboxamide
CID 110862074
3,4-dichloro-N-(4-piperidin-1-ylphenyl)benzamide
CID 807268
4-(pyridine-2-carbonylamino)benzoic acid
CID 16770258
N-[4-[[3-(piperidin-1-ylmethyl)phenyl]carbamoyl]phenyl]pyridine-2-carboxamide
CID 71893305

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-piperidin-1-ylphenyl)carbamoyl]phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[4-[(4-piperidin-1-ylphenyl)carbamoyl]phenyl]pyridine-2-carboxamide (CID 46489538) is N-[4-[(4-piperidin-1-ylphenyl)carbamoyl]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[(4-piperidin-1-ylphenyl)carbamoyl]phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[4-[(4-piperidin-1-ylphenyl)carbamoyl]phenyl]pyridine-2-carboxamide is O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(NC(=O)c2ccccn2)cc1.
What is the InChIKey of N-[4-[(4-piperidin-1-ylphenyl)carbamoyl]phenyl]pyridine-2-carboxamide?
The InChIKey is GHOHQQSLLHKSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c29-23(26-20-11-13-21(14-12-20)28-16-4-1-5-17-28)18-7-9-19(10-8-18)27-24(30)22-6-2-3-15-25-22/h2-3,6-15H,1,4-5,16-17H2,(H,26,29)(H,27,30).
What are the key properties of N-[4-[(4-piperidin-1-ylphenyl)carbamoyl]phenyl]pyridine-2-carboxamide?
N-[4-[(4-piperidin-1-ylphenyl)carbamoyl]phenyl]pyridine-2-carboxamide has a molecular weight of 400.48 g/mol, XLogP of 4.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-piperidin-1-ylphenyl)carbamoyl]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 46489538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).