N-[8-(cycloheptanecarbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide

C21H30N4O2 — CID 156610346

IUPACN-[8-(cycloheptanecarbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NC2CC3CCC(C2)N3C(=O)C2CCCCCC2)cn1
InChIInChI=1S/C21H30N4O2/c1-14-12-23-19(13-22-14)20(26)24-16-10-17-8-9-18(11-16)25(17)21(27)15-6-4-2-3-5-7-15/h12-13,15-18H,2-11H2,1H3,(H,24,26)
InChIKeyADSLLDVSDHVWCL-UHFFFAOYSA-N
MW370.50 g/mol
LogP3.01
Rot. Bonds3

About N-[8-(cycloheptanecarbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide

N-[8-(cycloheptanecarbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide (PubChem CID 156610346) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is N-[8-(cycloheptanecarbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[8-(cycloheptanecarbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide
PubChem CID156610346
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC NameN-[8-(cycloheptanecarbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NC2CC3CCC(C2)N3C(=O)C2CCCCCC2)cn1
InChIInChI=1S/C21H30N4O2/c1-14-12-23-19(13-22-14)20(26)24-16-10-17-8-9-18(11-16)25(17)21(27)15-6-4-2-3-5-7-15/h12-13,15-18H,2-11H2,1H3,(H,24,26)
InChIKeyADSLLDVSDHVWCL-UHFFFAOYSA-N
XLogP3.01
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[8-(3-cyclohexylpropanoyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide
CID 156610185
N-[(1S,5R)-8-(2-ethylbutanoyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide
CID 91924373
5-methyl-N-[8-(6-methylpyridine-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazine-2-carboxamide
CID 156610314
N-[(1R,5S)-8-(furan-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide
CID 91912190
5-methyl-N-[8-(2-methylpyrazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazine-2-carboxamide
CID 156610422
N-[(1S,5R)-8-(2,4-dimethylbenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide
CID 91924420
N-[8-(cycloheptanecarbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide
CID 156610232
N-[8-(6-methoxypyridine-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide
CID 156610340
N-[8-(2-ethylpyrazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide
CID 156610424
3-[(5-methylpyrazine-2-carbonyl)amino]-N-[3-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 156610420
N-[8-[2-(3-chloro-4-methoxyphenyl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide
CID 156610218
N-[(4aS,6R,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]dioxin-6-yl]-5-methylpyrazine-2-carboxamide
CID 124876813

Frequently Asked Questions

What is the IUPAC name of N-[8-(cycloheptanecarbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-[8-(cycloheptanecarbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide (CID 156610346) is N-[8-(cycloheptanecarbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[8-(cycloheptanecarbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[8-(cycloheptanecarbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide is Cc1cnc(C(=O)NC2CC3CCC(C2)N3C(=O)C2CCCCCC2)cn1.
What is the InChIKey of N-[8-(cycloheptanecarbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide?
The InChIKey is ADSLLDVSDHVWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-14-12-23-19(13-22-14)20(26)24-16-10-17-8-9-18(11-16)25(17)21(27)15-6-4-2-3-5-7-15/h12-13,15-18H,2-11H2,1H3,(H,24,26).
What are the key properties of N-[8-(cycloheptanecarbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide?
N-[8-(cycloheptanecarbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide has a molecular weight of 370.50 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(cycloheptanecarbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 156610346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).