N-(2,3-dihydro-1H-inden-2-yl)-3-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]pyrazine-2-carboxamide

C21H25N5O3 — CID 169247880

IUPACN-(2,3-dihydro-1H-inden-2-yl)-3-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]pyrazine-2-carboxamide
SMILESO=C(NC1Cc2ccccc2C1)c1nccnc1NC(=O)N1CCC(CO)CC1
InChIInChI=1S/C21H25N5O3/c27-13-14-5-9-26(10-6-14)21(29)25-19-18(22-7-8-23-19)20(28)24-17-11-15-3-1-2-4-16(15)12-17/h1-4,7-8,14,17,27H,5-6,9-13H2,(H,24,28)(H,23,25,29)
InChIKeyAQOQMDFOBNQZQF-UHFFFAOYSA-N
MW395.46 g/mol
LogP1.61
Rot. Bonds4

About N-(2,3-dihydro-1H-inden-2-yl)-3-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]pyrazine-2-carboxamide

N-(2,3-dihydro-1H-inden-2-yl)-3-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]pyrazine-2-carboxamide (PubChem CID 169247880) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-2-yl)-3-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-2-yl)-3-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]pyrazine-2-carboxamide
PubChem CID169247880
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC NameN-(2,3-dihydro-1H-inden-2-yl)-3-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]pyrazine-2-carboxamide
SMILESO=C(NC1Cc2ccccc2C1)c1nccnc1NC(=O)N1CCC(CO)CC1
InChIInChI=1S/C21H25N5O3/c27-13-14-5-9-26(10-6-14)21(29)25-19-18(22-7-8-23-19)20(28)24-17-11-15-3-1-2-4-16(15)12-17/h1-4,7-8,14,17,27H,5-6,9-13H2,(H,24,28)(H,23,25,29)
InChIKeyAQOQMDFOBNQZQF-UHFFFAOYSA-N
XLogP1.61
TPSA107.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(2,3-dihydro-1H-inden-2-yl)-3-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]pyrazine-2-carboxamide with MolForge

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Related Compounds

1-[[3-(2,3-dihydro-1H-inden-2-ylcarbamoyl)pyrazin-2-yl]carbamoyl]piperidine-3-carboxylic acid
CID 147948211
N-(2,3-dihydro-1H-inden-2-yl)-3-(2,2-dimethylpropanoylamino)pyrazine-2-carboxamide
CID 161114883
3-(3-aminopropylcarbamoylamino)-N-(2,3-dihydro-1H-inden-2-yl)pyrazine-2-carboxamide
CID 157480379
N-(2,3-dihydro-1H-inden-2-yl)-3-(piperidine-2-carbonylamino)pyrazine-2-carboxamide
CID 146694117
N-(2,3-dihydro-1H-inden-2-yl)-3-[[1-(3,3-dimethylbutanoyl)piperidine-2-carbonyl]amino]pyrazine-2-carboxamide
CID 157302652
3-benzamido-N-(1-benzoylpiperidin-4-yl)pyrazine-2-carboxamide
CID 90488210
3-benzamido-N-(1-propanoylpiperidin-4-yl)pyrazine-2-carboxamide
CID 83281431
N-[1-(2-methoxyacetyl)piperidin-4-yl]-3-(pyridine-2-carbonylamino)pyrazine-2-carboxamide
CID 42866695
4-(hydroxymethyl)-N-(4-phenylphenyl)piperidine-1-carboxamide
CID 111486727
N-(2,3-dihydro-1H-inden-2-yl)-4-methylpiperidine-1-carboxamide
CID 104694688
N-(1-benzoylpiperidin-4-yl)-3-[(4-fluorobenzoyl)amino]pyrazine-2-carboxamide
CID 42853839
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[(2-fluorobenzoyl)amino]pyrazine-2-carboxamide
CID 46049085

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-3-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]pyrazine-2-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-3-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]pyrazine-2-carboxamide (CID 169247880) is N-(2,3-dihydro-1H-inden-2-yl)-3-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]pyrazine-2-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-2-yl)-3-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]pyrazine-2-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-2-yl)-3-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]pyrazine-2-carboxamide is O=C(NC1Cc2ccccc2C1)c1nccnc1NC(=O)N1CCC(CO)CC1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-2-yl)-3-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]pyrazine-2-carboxamide?
The InChIKey is AQOQMDFOBNQZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3/c27-13-14-5-9-26(10-6-14)21(29)25-19-18(22-7-8-23-19)20(28)24-17-11-15-3-1-2-4-16(15)12-17/h1-4,7-8,14,17,27H,5-6,9-13H2,(H,24,28)(H,23,25,29).
What are the key properties of N-(2,3-dihydro-1H-inden-2-yl)-3-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]pyrazine-2-carboxamide?
N-(2,3-dihydro-1H-inden-2-yl)-3-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]pyrazine-2-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 1.61, 4 rotatable bonds, 3 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-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]pyrazine-2-carboxamide is sourced from PubChem (CID 169247880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).