N-[5-[[2-(6-methylpyrazine-2-carbonyl)hydrazinyl]methyl]-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide

C21H26N6O2 — CID 123921285

IUPACN-[5-[[2-(6-methylpyrazine-2-carbonyl)hydrazinyl]methyl]-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide
SMILESCc1cncc(C(=O)NNCC23CCCC(NC(=O)c4ccccn4)(CC2)C3)n1
InChIInChI=1S/C21H26N6O2/c1-15-11-22-12-17(25-15)19(29)27-24-14-20-6-4-7-21(13-20,9-8-20)26-18(28)16-5-2-3-10-23-16/h2-3,5,10-12,24H,4,6-9,13-14H2,1H3,(H,26,28)(H,27,29)
InChIKeyXCNUEYWLFVMMFH-UHFFFAOYSA-N
MW394.48 g/mol
LogP1.94
Rot. Bonds6

About N-[5-[[2-(6-methylpyrazine-2-carbonyl)hydrazinyl]methyl]-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide

N-[5-[[2-(6-methylpyrazine-2-carbonyl)hydrazinyl]methyl]-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide (PubChem CID 123921285) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is N-[5-[[2-(6-methylpyrazine-2-carbonyl)hydrazinyl]methyl]-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[5-[[2-(6-methylpyrazine-2-carbonyl)hydrazinyl]methyl]-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide
PubChem CID123921285
Molecular FormulaC21H26N6O2
Molecular Weight394.48 g/mol
Exact Mass394.21
IUPAC NameN-[5-[[2-(6-methylpyrazine-2-carbonyl)hydrazinyl]methyl]-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide
SMILESCc1cncc(C(=O)NNCC23CCCC(NC(=O)c4ccccn4)(CC2)C3)n1
InChIInChI=1S/C21H26N6O2/c1-15-11-22-12-17(25-15)19(29)27-24-14-20-6-4-7-21(13-20,9-8-20)26-18(28)16-5-2-3-10-23-16/h2-3,5,10-12,24H,4,6-9,13-14H2,1H3,(H,26,28)(H,27,29)
InChIKeyXCNUEYWLFVMMFH-UHFFFAOYSA-N
XLogP1.94
TPSA108.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[5-[[2-(6-methylpyrazine-2-carbonyl)hydrazinyl]methyl]-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide with MolForge

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Related Compounds

6-methyl-N-[5-(pyrimidine-2-carbonylamino)-1-bicyclo[3.2.1]octanyl]pyrazine-2-carboxamide
CID 57407036
6-methyl-N-[5-(2-oxo-2-pyridin-3-ylethyl)-1-bicyclo[3.2.1]octanyl]pyrazine-2-carboxamide
CID 147325250
6-methyl-N-[5-(pyrimidine-4-carbonylamino)-1-bicyclo[3.2.1]octanyl]pyrazine-2-carboxamide
CID 70498117
6-methyl-N-[5-(pyridin-2-ylcarbamoyl)-1-bicyclo[3.2.1]octanyl]pyrazine-2-carboxamide
CID 70497414
6-methyl-N-[5-[(3-methylbenzoyl)amino]-1-bicyclo[3.2.1]octanyl]pyrazine-2-carboxamide
CID 70497797
3-methyl-N-[5-[2-(6-methylpyrazin-2-yl)-2-oxoethyl]-1-bicyclo[3.2.1]octanyl]benzamide
CID 147821250
ethyl 5-[(6-methylpyrazine-2-carbonyl)amino]bicyclo[3.2.1]octane-1-carboxylate
CID 67981106
4-methyl-N-[5-(pyridine-2-carbonylamino)-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide
CID 70496351
N-[(5R)-5-[(6-methyl-2-pyridinyl)carbamoyl]-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide
CID 130286496
6-methyl-N-[(1R,5S)-5-(2-pyridin-2-ylethynyl)-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide
CID 71535585
6-methyl-N-[5-[(5-methylpyridine-3-carbonyl)amino]-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide
CID 70498464
N-(4-propan-2-yl-1-bicyclo[2.2.1]heptanyl)pyridine-2-carboxamide
CID 118410766

Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-(6-methylpyrazine-2-carbonyl)hydrazinyl]methyl]-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide?
The IUPAC name of N-[5-[[2-(6-methylpyrazine-2-carbonyl)hydrazinyl]methyl]-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide (CID 123921285) is N-[5-[[2-(6-methylpyrazine-2-carbonyl)hydrazinyl]methyl]-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[5-[[2-(6-methylpyrazine-2-carbonyl)hydrazinyl]methyl]-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide?
The canonical SMILES for N-[5-[[2-(6-methylpyrazine-2-carbonyl)hydrazinyl]methyl]-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide is Cc1cncc(C(=O)NNCC23CCCC(NC(=O)c4ccccn4)(CC2)C3)n1.
What is the InChIKey of N-[5-[[2-(6-methylpyrazine-2-carbonyl)hydrazinyl]methyl]-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide?
The InChIKey is XCNUEYWLFVMMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2/c1-15-11-22-12-17(25-15)19(29)27-24-14-20-6-4-7-21(13-20,9-8-20)26-18(28)16-5-2-3-10-23-16/h2-3,5,10-12,24H,4,6-9,13-14H2,1H3,(H,26,28)(H,27,29).
What are the key properties of N-[5-[[2-(6-methylpyrazine-2-carbonyl)hydrazinyl]methyl]-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide?
N-[5-[[2-(6-methylpyrazine-2-carbonyl)hydrazinyl]methyl]-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 1.94, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[2-(6-methylpyrazine-2-carbonyl)hydrazinyl]methyl]-1-bicyclo[3.2.1]octanyl]pyridine-2-carboxamide is sourced from PubChem (CID 123921285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).