2-butyl-N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-1,3-dioxoisoindole-5-carboxamide

C24H27N5O4 — CID 55968280

IUPAC2-butyl-N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-1,3-dioxoisoindole-5-carboxamide
SMILESCCCCN1C(=O)c2ccc(C(=O)Nc3ccc(N4CCCC(C(N)=O)C4)nc3)cc2C1=O
InChIInChI=1S/C24H27N5O4/c1-2-3-11-29-23(32)18-8-6-15(12-19(18)24(29)33)22(31)27-17-7-9-20(26-13-17)28-10-4-5-16(14-28)21(25)30/h6-9,12-13,16H,2-5,10-11,14H2,1H3,(H2,25,30)(H,27,31)
InChIKeyJZXPWWVLYIDSAJ-UHFFFAOYSA-N
MW449.51 g/mol
LogP2.43
Rot. Bonds7

About 2-butyl-N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-1,3-dioxoisoindole-5-carboxamide

2-butyl-N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-1,3-dioxoisoindole-5-carboxamide (PubChem CID 55968280) has the molecular formula C24H27N5O4 and a molecular weight of 449.51 g/mol. Its IUPAC name is 2-butyl-N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound Name2-butyl-N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-1,3-dioxoisoindole-5-carboxamide
PubChem CID55968280
Molecular FormulaC24H27N5O4
Molecular Weight449.51 g/mol
Exact Mass449.21
IUPAC Name2-butyl-N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-1,3-dioxoisoindole-5-carboxamide
SMILESCCCCN1C(=O)c2ccc(C(=O)Nc3ccc(N4CCCC(C(N)=O)C4)nc3)cc2C1=O
InChIInChI=1S/C24H27N5O4/c1-2-3-11-29-23(32)18-8-6-15(12-19(18)24(29)33)22(31)27-17-7-9-20(26-13-17)28-10-4-5-16(14-28)21(25)30/h6-9,12-13,16H,2-5,10-11,14H2,1H3,(H2,25,30)(H,27,31)
InChIKeyJZXPWWVLYIDSAJ-UHFFFAOYSA-N
XLogP2.43
TPSA125.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 55968404
1-[5-[(3-cyanobenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 86988880
1-[5-[(1-butylsulfonylpiperidine-4-carbonyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55971103
2-(3-methylbutyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-dioxoisoindole-5-carboxamide
CID 17483169
2-butyl-N-(1-methylpyrazol-4-yl)-1,3-dioxoisoindole-5-carboxamide
CID 32603541
2-cyclohexyl-1,3-dioxo-N-(6-pyrrolidin-1-yl-3-pyridinyl)isoindole-5-carboxamide
CID 37292360
1-[5-[[4-(trifluoromethylsulfanyl)benzoyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55701002
1-[5-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55970708
1-[5-[(5-methyl-2-pyrrolidin-1-ylbenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 86962982
1-[5-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55971087
1-[5-[[4-(1,2,4-triazol-1-ylmethyl)benzoyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55970456
1-[5-[[4-(4-bromopyrazol-1-yl)benzoyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55971223

Frequently Asked Questions

What is the IUPAC name of 2-butyl-N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of 2-butyl-N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-1,3-dioxoisoindole-5-carboxamide (CID 55968280) is 2-butyl-N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for 2-butyl-N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for 2-butyl-N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-1,3-dioxoisoindole-5-carboxamide is CCCCN1C(=O)c2ccc(C(=O)Nc3ccc(N4CCCC(C(N)=O)C4)nc3)cc2C1=O.
What is the InChIKey of 2-butyl-N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is JZXPWWVLYIDSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O4/c1-2-3-11-29-23(32)18-8-6-15(12-19(18)24(29)33)22(31)27-17-7-9-20(26-13-17)28-10-4-5-16(14-28)21(25)30/h6-9,12-13,16H,2-5,10-11,14H2,1H3,(H2,25,30)(H,27,31).
What are the key properties of 2-butyl-N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-1,3-dioxoisoindole-5-carboxamide?
2-butyl-N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 449.51 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 55968280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).