4-[4-(3-indazol-1-ylpropylamino)piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide

C28H32N6O — CID 42169432

IUPAC4-[4-(3-indazol-1-ylpropylamino)piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(NCc1cccnc1)c1ccc(N2CCC(NCCCn3ncc4ccccc43)CC2)cc1
InChIInChI=1S/C28H32N6O/c35-28(31-20-22-5-3-14-29-19-22)23-8-10-26(11-9-23)33-17-12-25(13-18-33)30-15-4-16-34-27-7-2-1-6-24(27)21-32-34/h1-3,5-11,14,19,21,25,30H,4,12-13,15-18,20H2,(H,31,35)
InChIKeyZAKMRRZTAKDHGT-UHFFFAOYSA-N
MW468.61 g/mol
LogP4.01
Rot. Bonds9

About 4-[4-(3-indazol-1-ylpropylamino)piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide

4-[4-(3-indazol-1-ylpropylamino)piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 42169432) has the molecular formula C28H32N6O and a molecular weight of 468.61 g/mol. Its IUPAC name is 4-[4-(3-indazol-1-ylpropylamino)piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[4-(3-indazol-1-ylpropylamino)piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide
PubChem CID42169432
Molecular FormulaC28H32N6O
Molecular Weight468.61 g/mol
Exact Mass468.26
IUPAC Name4-[4-(3-indazol-1-ylpropylamino)piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(NCc1cccnc1)c1ccc(N2CCC(NCCCn3ncc4ccccc43)CC2)cc1
InChIInChI=1S/C28H32N6O/c35-28(31-20-22-5-3-14-29-19-22)23-8-10-26(11-9-23)33-17-12-25(13-18-33)30-15-4-16-34-27-7-2-1-6-24(27)21-32-34/h1-3,5-11,14,19,21,25,30H,4,12-13,15-18,20H2,(H,31,35)
InChIKeyZAKMRRZTAKDHGT-UHFFFAOYSA-N
XLogP4.01
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.61
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[4-[2-(cyclohexen-1-yl)ethylamino]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 26402975
4-[4-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethylamino]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 42480056
4-[4-(2-imidazo[2,1-b][1,3]thiazol-6-ylethylamino)piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 42276196
1-methyl-N-(pyridin-3-ylmethyl)indazole-6-carboxamide
CID 110475596
(2S)-1-[1-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidin-4-yl]pyrrolidine-2-carboxamide
CID 118754298
3,4-dihydro-1H-isoquinolin-2-yl-[4-[4-(pyridin-3-ylmethylamino)piperidin-1-yl]phenyl]methanone
CID 42432452
2-[4-[(4-methylbenzoyl)amino]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 24719002
2-[4-[(4-methoxybenzoyl)amino]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 46037601
ethyl 4-[4-[4-(3-pyridin-3-ylpropylamino)piperidin-1-yl]benzoyl]piperazine-1-carboxylate
CID 42162659
4-[4-[(3R)-3-(3-methylphenyl)piperidin-1-yl]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 26277410
N-(3-indazol-1-ylpropyl)-6-oxo-1-phenylpyridine-3-carboxamide
CID 91954843
5-piperidin-1-yl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109226474

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-indazol-1-ylpropylamino)piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 4-[4-(3-indazol-1-ylpropylamino)piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide (CID 42169432) is 4-[4-(3-indazol-1-ylpropylamino)piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 4-[4-(3-indazol-1-ylpropylamino)piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 4-[4-(3-indazol-1-ylpropylamino)piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide is O=C(NCc1cccnc1)c1ccc(N2CCC(NCCCn3ncc4ccccc43)CC2)cc1.
What is the InChIKey of 4-[4-(3-indazol-1-ylpropylamino)piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is ZAKMRRZTAKDHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N6O/c35-28(31-20-22-5-3-14-29-19-22)23-8-10-26(11-9-23)33-17-12-25(13-18-33)30-15-4-16-34-27-7-2-1-6-24(27)21-32-34/h1-3,5-11,14,19,21,25,30H,4,12-13,15-18,20H2,(H,31,35).
What are the key properties of 4-[4-(3-indazol-1-ylpropylamino)piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide?
4-[4-(3-indazol-1-ylpropylamino)piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 468.61 g/mol, XLogP of 4.01, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-indazol-1-ylpropylamino)piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 42169432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).