N-(2,3-dihydro-1H-inden-2-yl)-3-[[1-(3,3-dimethylbutanoyl)piperidine-2-carbonyl]amino]pyrazine-2-carboxamide

C26H33N5O3 — CID 157302652

IUPACN-(2,3-dihydro-1H-inden-2-yl)-3-[[1-(3,3-dimethylbutanoyl)piperidine-2-carbonyl]amino]pyrazine-2-carboxamide
SMILESCC(C)(C)CC(=O)N1CCCCC1C(=O)Nc1nccnc1C(=O)NC1Cc2ccccc2C1
InChIInChI=1S/C26H33N5O3/c1-26(2,3)16-21(32)31-13-7-6-10-20(31)24(33)30-23-22(27-11-12-28-23)25(34)29-19-14-17-8-4-5-9-18(17)15-19/h4-5,8-9,11-12,19-20H,6-7,10,13-16H2,1-3H3,(H,29,34)(H,28,30,33)
InChIKeyHRCFCDJRGOEQPF-UHFFFAOYSA-N
MW463.58 g/mol
LogP3.13
Rot. Bonds5

About N-(2,3-dihydro-1H-inden-2-yl)-3-[[1-(3,3-dimethylbutanoyl)piperidine-2-carbonyl]amino]pyrazine-2-carboxamide

N-(2,3-dihydro-1H-inden-2-yl)-3-[[1-(3,3-dimethylbutanoyl)piperidine-2-carbonyl]amino]pyrazine-2-carboxamide (PubChem CID 157302652) has the molecular formula C26H33N5O3 and a molecular weight of 463.58 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-2-yl)-3-[[1-(3,3-dimethylbutanoyl)piperidine-2-carbonyl]amino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-2-yl)-3-[[1-(3,3-dimethylbutanoyl)piperidine-2-carbonyl]amino]pyrazine-2-carboxamide
PubChem CID157302652
Molecular FormulaC26H33N5O3
Molecular Weight463.58 g/mol
Exact Mass463.26
IUPAC NameN-(2,3-dihydro-1H-inden-2-yl)-3-[[1-(3,3-dimethylbutanoyl)piperidine-2-carbonyl]amino]pyrazine-2-carboxamide
SMILESCC(C)(C)CC(=O)N1CCCCC1C(=O)Nc1nccnc1C(=O)NC1Cc2ccccc2C1
InChIInChI=1S/C26H33N5O3/c1-26(2,3)16-21(32)31-13-7-6-10-20(31)24(33)30-23-22(27-11-12-28-23)25(34)29-19-14-17-8-4-5-9-18(17)15-19/h4-5,8-9,11-12,19-20H,6-7,10,13-16H2,1-3H3,(H,29,34)(H,28,30,33)
InChIKeyHRCFCDJRGOEQPF-UHFFFAOYSA-N
XLogP3.13
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 2-[[3-[(5-methyl-2,3-dihydro-1H-inden-2-yl)carbamoyl]pyrazin-2-yl]carbamoyl]piperidine-1-carboxylate
CID 170117135
N-(2,3-dihydro-1H-inden-2-yl)-3-(2,2-dimethylpropanoylamino)pyrazine-2-carboxamide
CID 161114883
N-(2,3-dihydro-1H-inden-2-yl)-3-(piperidine-2-carbonylamino)pyrazine-2-carboxamide
CID 146694117
1-(3,3-dimethylbutanoyl)-N-phenylpyrrolidine-2-carboxamide
CID 134005373
1-[[3-(2,3-dihydro-1H-inden-2-ylcarbamoyl)pyrazin-2-yl]carbamoyl]piperidine-3-carboxylic acid
CID 147948211
(2S)-N-(4-benzamidocyclohexyl)-1-(3,3-dimethylbutanoyl)pyrrolidine-2-carboxamide
CID 51071442
N-(2,3-dihydro-1H-inden-2-yl)-3-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]pyrazine-2-carboxamide
CID 169247880
3-(3-aminopropylcarbamoylamino)-N-(2,3-dihydro-1H-inden-2-yl)pyrazine-2-carboxamide
CID 157480379
2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carbonyl]amino]pyridine-3-carboxylic acid
CID 156529148
1-butanoyl-N-isoquinolin-1-ylpyrrolidine-2-carboxamide
CID 126824073
N-(1-benzylpiperidin-4-yl)-3-(2,2-dimethylpropanoylamino)pyrazine-2-carboxamide
CID 42866628
N-cyclohexyl-3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]pyrazine-2-carboxamide
CID 160722810

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-3-[[1-(3,3-dimethylbutanoyl)piperidine-2-carbonyl]amino]pyrazine-2-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-3-[[1-(3,3-dimethylbutanoyl)piperidine-2-carbonyl]amino]pyrazine-2-carboxamide (CID 157302652) is N-(2,3-dihydro-1H-inden-2-yl)-3-[[1-(3,3-dimethylbutanoyl)piperidine-2-carbonyl]amino]pyrazine-2-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-2-yl)-3-[[1-(3,3-dimethylbutanoyl)piperidine-2-carbonyl]amino]pyrazine-2-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-2-yl)-3-[[1-(3,3-dimethylbutanoyl)piperidine-2-carbonyl]amino]pyrazine-2-carboxamide is CC(C)(C)CC(=O)N1CCCCC1C(=O)Nc1nccnc1C(=O)NC1Cc2ccccc2C1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-2-yl)-3-[[1-(3,3-dimethylbutanoyl)piperidine-2-carbonyl]amino]pyrazine-2-carboxamide?
The InChIKey is HRCFCDJRGOEQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O3/c1-26(2,3)16-21(32)31-13-7-6-10-20(31)24(33)30-23-22(27-11-12-28-23)25(34)29-19-14-17-8-4-5-9-18(17)15-19/h4-5,8-9,11-12,19-20H,6-7,10,13-16H2,1-3H3,(H,29,34)(H,28,30,33).
What are the key properties of N-(2,3-dihydro-1H-inden-2-yl)-3-[[1-(3,3-dimethylbutanoyl)piperidine-2-carbonyl]amino]pyrazine-2-carboxamide?
N-(2,3-dihydro-1H-inden-2-yl)-3-[[1-(3,3-dimethylbutanoyl)piperidine-2-carbonyl]amino]pyrazine-2-carboxamide has a molecular weight of 463.58 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-2-yl)-3-[[1-(3,3-dimethylbutanoyl)piperidine-2-carbonyl]amino]pyrazine-2-carboxamide is sourced from PubChem (CID 157302652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).