N-[(1S,5R)-8-(2,4-dimethylbenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide

C22H26N4O2 — CID 91924420

IUPACN-[(1S,5R)-8-(2,4-dimethylbenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide
SMILESCc1ccc(C(=O)N2[C@@H]3CC[C@H]2CC(NC(=O)c2cnc(C)cn2)C3)c(C)c1
InChIInChI=1S/C22H26N4O2/c1-13-4-7-19(14(2)8-13)22(28)26-17-5-6-18(26)10-16(9-17)25-21(27)20-12-23-15(3)11-24-20/h4,7-8,11-12,16-18H,5-6,9-10H2,1-3H3,(H,25,27)/t16?,17-,18+
InChIKeyMYESEIXAPIXSHY-AYHJJNSGSA-N
MW378.48 g/mol
LogP2.97
Rot. Bonds3

About N-[(1S,5R)-8-(2,4-dimethylbenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide

N-[(1S,5R)-8-(2,4-dimethylbenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide (PubChem CID 91924420) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-[(1S,5R)-8-(2,4-dimethylbenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(1S,5R)-8-(2,4-dimethylbenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide
PubChem CID91924420
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC NameN-[(1S,5R)-8-(2,4-dimethylbenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide
SMILESCc1ccc(C(=O)N2[C@@H]3CC[C@H]2CC(NC(=O)c2cnc(C)cn2)C3)c(C)c1
InChIInChI=1S/C22H26N4O2/c1-13-4-7-19(14(2)8-13)22(28)26-17-5-6-18(26)10-16(9-17)25-21(27)20-12-23-15(3)11-24-20/h4,7-8,11-12,16-18H,5-6,9-10H2,1-3H3,(H,25,27)/t16?,17-,18+
InChIKeyMYESEIXAPIXSHY-AYHJJNSGSA-N
XLogP2.97
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1S,5R)-8-(2,4-dimethylbenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide with MolForge

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Related Compounds

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
N-[8-(6-methoxypyridine-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide
CID 156610340
5-methyl-N-[8-(2-methylpyrazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazine-2-carboxamide
CID 156610422
N-[8-(cycloheptanecarbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide
CID 156610346
N-[8-(2-ethylpyrazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide
CID 156610424
N-[(1S,5R)-8-(2-ethylbutanoyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide
CID 91924373
(2,4-dimethylphenyl)-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 122255428
N-[8-(3-cyclohexylpropanoyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide
CID 156610185
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-cyclododecyl-2,4-dimethylbenzamide
CID 19656258

Frequently Asked Questions

What is the IUPAC name of N-[(1S,5R)-8-(2,4-dimethylbenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-[(1S,5R)-8-(2,4-dimethylbenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide (CID 91924420) is N-[(1S,5R)-8-(2,4-dimethylbenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[(1S,5R)-8-(2,4-dimethylbenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[(1S,5R)-8-(2,4-dimethylbenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide is Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2CC(NC(=O)c2cnc(C)cn2)C3)c(C)c1.
What is the InChIKey of N-[(1S,5R)-8-(2,4-dimethylbenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide?
The InChIKey is MYESEIXAPIXSHY-AYHJJNSGSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-13-4-7-19(14(2)8-13)22(28)26-17-5-6-18(26)10-16(9-17)25-21(27)20-12-23-15(3)11-24-20/h4,7-8,11-12,16-18H,5-6,9-10H2,1-3H3,(H,25,27)/t16?,17-,18+.
What are the key properties of N-[(1S,5R)-8-(2,4-dimethylbenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide?
N-[(1S,5R)-8-(2,4-dimethylbenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,5R)-8-(2,4-dimethylbenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 91924420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).