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

C22H32N4O2 — CID 156610185

IUPACN-[8-(3-cyclohexylpropanoyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NC2CC3CCC(C2)N3C(=O)CCC2CCCCC2)cn1
InChIInChI=1S/C22H32N4O2/c1-15-13-24-20(14-23-15)22(28)25-17-11-18-8-9-19(12-17)26(18)21(27)10-7-16-5-3-2-4-6-16/h13-14,16-19H,2-12H2,1H3,(H,25,28)
InChIKeyQIYLRYVOUJMBDK-UHFFFAOYSA-N
MW384.52 g/mol
LogP3.40
Rot. Bonds5

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

N-[8-(3-cyclohexylpropanoyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide (PubChem CID 156610185) has the molecular formula C22H32N4O2 and a molecular weight of 384.52 g/mol. Its IUPAC name is N-[8-(3-cyclohexylpropanoyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[8-(3-cyclohexylpropanoyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide
PubChem CID156610185
Molecular FormulaC22H32N4O2
Molecular Weight384.52 g/mol
Exact Mass384.25
IUPAC NameN-[8-(3-cyclohexylpropanoyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NC2CC3CCC(C2)N3C(=O)CCC2CCCCC2)cn1
InChIInChI=1S/C22H32N4O2/c1-15-13-24-20(14-23-15)22(28)25-17-11-18-8-9-19(12-17)26(18)21(27)10-7-16-5-3-2-4-6-16/h13-14,16-19H,2-12H2,1H3,(H,25,28)
InChIKeyQIYLRYVOUJMBDK-UHFFFAOYSA-N
XLogP3.40
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[8-(3-cyclohexylpropanoyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[8-(cycloheptanecarbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide
CID 156610346
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
N-[8-(2-ethylpyrazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide
CID 156610424
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-[2-(3-chloro-4-methoxyphenyl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide
CID 156610218
N-[8-(6-methoxypyridine-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide
CID 156610340
N-(cyclohexylmethyl)-5-methylpyrazine-2-carboxamide
CID 855752
3-[(5-methylpyrazine-2-carbonyl)amino]-N-[3-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 156610420
N-(1-amino-3-cyclohexyl-1-oxopropan-2-yl)-5-methylpyrazine-2-carboxamide
CID 67556738

Frequently Asked Questions

What is the IUPAC name of N-[8-(3-cyclohexylpropanoyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-[8-(3-cyclohexylpropanoyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide (CID 156610185) is N-[8-(3-cyclohexylpropanoyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[8-(3-cyclohexylpropanoyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[8-(3-cyclohexylpropanoyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide is Cc1cnc(C(=O)NC2CC3CCC(C2)N3C(=O)CCC2CCCCC2)cn1.
What is the InChIKey of N-[8-(3-cyclohexylpropanoyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide?
The InChIKey is QIYLRYVOUJMBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O2/c1-15-13-24-20(14-23-15)22(28)25-17-11-18-8-9-19(12-17)26(18)21(27)10-7-16-5-3-2-4-6-16/h13-14,16-19H,2-12H2,1H3,(H,25,28).
What are the key properties of N-[8-(3-cyclohexylpropanoyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide?
N-[8-(3-cyclohexylpropanoyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide has a molecular weight of 384.52 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(3-cyclohexylpropanoyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 156610185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).