4-[4-[3-(1,3-dihydroisoindole-2-carbonyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-N',N'-dimethyl-4-oxobutanehydrazide

C26H33N5O3 — CID 3821130

IUPAC4-[4-[3-(1,3-dihydroisoindole-2-carbonyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-N',N'-dimethyl-4-oxobutanehydrazide
SMILESCc1ccc(C(=O)N2Cc3ccccc3C2)c(C2CCN(C(=O)CCC(=O)NN(C)C)CC2)n1
InChIInChI=1S/C26H33N5O3/c1-18-8-9-22(26(34)31-16-20-6-4-5-7-21(20)17-31)25(27-18)19-12-14-30(15-13-19)24(33)11-10-23(32)28-29(2)3/h4-9,19H,10-17H2,1-3H3,(H,28,32)
InChIKeyGBRFOWNWOVEQOE-UHFFFAOYSA-N
MW463.58 g/mol
LogP2.63
Rot. Bonds6

About 4-[4-[3-(1,3-dihydroisoindole-2-carbonyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-N',N'-dimethyl-4-oxobutanehydrazide

4-[4-[3-(1,3-dihydroisoindole-2-carbonyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-N',N'-dimethyl-4-oxobutanehydrazide (PubChem CID 3821130) has the molecular formula C26H33N5O3 and a molecular weight of 463.58 g/mol. Its IUPAC name is 4-[4-[3-(1,3-dihydroisoindole-2-carbonyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-N',N'-dimethyl-4-oxobutanehydrazide.

Molecular Properties

Compound Name4-[4-[3-(1,3-dihydroisoindole-2-carbonyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-N',N'-dimethyl-4-oxobutanehydrazide
PubChem CID3821130
Molecular FormulaC26H33N5O3
Molecular Weight463.58 g/mol
Exact Mass463.26
IUPAC Name4-[4-[3-(1,3-dihydroisoindole-2-carbonyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-N',N'-dimethyl-4-oxobutanehydrazide
SMILESCc1ccc(C(=O)N2Cc3ccccc3C2)c(C2CCN(C(=O)CCC(=O)NN(C)C)CC2)n1
InChIInChI=1S/C26H33N5O3/c1-18-8-9-22(26(34)31-16-20-6-4-5-7-21(20)17-31)25(27-18)19-12-14-30(15-13-19)24(33)11-10-23(32)28-29(2)3/h4-9,19H,10-17H2,1-3H3,(H,28,32)
InChIKeyGBRFOWNWOVEQOE-UHFFFAOYSA-N
XLogP2.63
TPSA85.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(1,3-benzodioxol-5-yl)-1-[4-[3-(1,3-dihydroisoindole-2-carbonyl)-6-methyl-2-pyridinyl]piperidin-1-yl]propan-1-one
CID 3254231
2-[1-[4-(2,2-dimethylhydrazinyl)-4-oxobutanoyl]piperidin-4-yl]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-6-methylpyridine-3-carboxamide
CID 3350598
4-[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-6-methyl-2-pyridinyl]-N-ethylpiperidine-1-carboxamide
CID 46044922
4-[3-(1,3-dihydroisoindole-2-carbonyl)-6-methyl-2-pyridinyl]-N-(4-methylsulfanylphenyl)piperidine-1-carboxamide
CID 5196870
3-[4-[3-(1,3-dihydroisoindole-2-carbonyl)-6-methyl-2-pyridinyl]piperidine-1-carbonyl]-1H-quinoxalin-2-one
CID 5018476
1,3-dihydroisoindol-2-yl-[2-[1-(1,3-dimethyl-4-nitropyrazole-5-carbonyl)piperidin-4-yl]-6-methyl-3-pyridinyl]methanone
CID 3803159
1,3-benzothiazol-6-yl-[4-[3-(1,3-dihydroisoindole-2-carbonyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone
CID 3818216
2-[4-(dimethylamino)phenyl]-1-[4-[6-methyl-3-(1,3-thiazolidine-3-carbonyl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 3845117
N,6-dimethyl-2-[1-(2-phenylacetyl)piperidin-4-yl]pyridine-3-carboxamide
CID 42868064
ethyl 4-[6-methyl-2-[1-[2-(phenylcarbamoylamino)acetyl]piperidin-4-yl]pyridine-3-carbonyl]piperazine-1-carboxylate
CID 5156642
3,4-dihydro-1H-isoquinolin-2-yl-[6-methyl-2-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-3-pyridinyl]methanone
CID 42868305
[2-[4-[3-(3,6-dihydro-2H-pyridine-1-carbonyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-2-oxoethyl] N,N-dimethylcarbamodithioate
CID 3747807

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(1,3-dihydroisoindole-2-carbonyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-N',N'-dimethyl-4-oxobutanehydrazide?
The IUPAC name of 4-[4-[3-(1,3-dihydroisoindole-2-carbonyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-N',N'-dimethyl-4-oxobutanehydrazide (CID 3821130) is 4-[4-[3-(1,3-dihydroisoindole-2-carbonyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-N',N'-dimethyl-4-oxobutanehydrazide.
What is the SMILES notation for 4-[4-[3-(1,3-dihydroisoindole-2-carbonyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-N',N'-dimethyl-4-oxobutanehydrazide?
The canonical SMILES for 4-[4-[3-(1,3-dihydroisoindole-2-carbonyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-N',N'-dimethyl-4-oxobutanehydrazide is Cc1ccc(C(=O)N2Cc3ccccc3C2)c(C2CCN(C(=O)CCC(=O)NN(C)C)CC2)n1.
What is the InChIKey of 4-[4-[3-(1,3-dihydroisoindole-2-carbonyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-N',N'-dimethyl-4-oxobutanehydrazide?
The InChIKey is GBRFOWNWOVEQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O3/c1-18-8-9-22(26(34)31-16-20-6-4-5-7-21(20)17-31)25(27-18)19-12-14-30(15-13-19)24(33)11-10-23(32)28-29(2)3/h4-9,19H,10-17H2,1-3H3,(H,28,32).
What are the key properties of 4-[4-[3-(1,3-dihydroisoindole-2-carbonyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-N',N'-dimethyl-4-oxobutanehydrazide?
4-[4-[3-(1,3-dihydroisoindole-2-carbonyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-N',N'-dimethyl-4-oxobutanehydrazide has a molecular weight of 463.58 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-(1,3-dihydroisoindole-2-carbonyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-N',N'-dimethyl-4-oxobutanehydrazide is sourced from PubChem (CID 3821130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).