5-(2-tert-butylanilino)-N-cycloheptylpyrazine-2-carboxamide

C22H30N4O — CID 109287489

IUPAC5-(2-tert-butylanilino)-N-cycloheptylpyrazine-2-carboxamide
SMILESCC(C)(C)c1ccccc1Nc1cnc(C(=O)NC2CCCCCC2)cn1
InChIInChI=1S/C22H30N4O/c1-22(2,3)17-12-8-9-13-18(17)26-20-15-23-19(14-24-20)21(27)25-16-10-6-4-5-7-11-16/h8-9,12-16H,4-7,10-11H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyDBVFUCVTNUFGJI-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.97
Rot. Bonds4

About 5-(2-tert-butylanilino)-N-cycloheptylpyrazine-2-carboxamide

5-(2-tert-butylanilino)-N-cycloheptylpyrazine-2-carboxamide (PubChem CID 109287489) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is 5-(2-tert-butylanilino)-N-cycloheptylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(2-tert-butylanilino)-N-cycloheptylpyrazine-2-carboxamide
PubChem CID109287489
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name5-(2-tert-butylanilino)-N-cycloheptylpyrazine-2-carboxamide
SMILESCC(C)(C)c1ccccc1Nc1cnc(C(=O)NC2CCCCCC2)cn1
InChIInChI=1S/C22H30N4O/c1-22(2,3)17-12-8-9-13-18(17)26-20-15-23-19(14-24-20)21(27)25-16-10-6-4-5-7-11-16/h8-9,12-16H,4-7,10-11H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyDBVFUCVTNUFGJI-UHFFFAOYSA-N
XLogP4.97
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-5-(2-methylanilino)pyrazine-2-carboxamide
CID 109273966
N-cyclohexyl-5-(2-fluoroanilino)pyrazine-2-carboxamide
CID 109274738
1-[6-(2-tert-butylanilino)-3-pyridinyl]-3-cyclohexylurea
CID 113018093
ethyl 2-[[5-(cycloheptylcarbamoyl)pyrazin-2-yl]amino]benzoate
CID 109287547
5-(2-bromoanilino)-N-cyclopropylpyrazine-2-carboxamide
CID 109271713
[5-(2-tert-butylanilino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 109273606
5-[4-chloro-2-(trifluoromethyl)anilino]-N-cyclohexylpyrazine-2-carboxamide
CID 109274799
N-butan-2-yl-5-(2-tert-butylanilino)pyrazine-2-carboxamide
CID 109273222
4-N-(2-tert-butylphenyl)-2-N-cyclohexylpyridine-2,4-dicarboxamide
CID 109081588
5-(2-tert-butylanilino)-N-[4-(dimethylamino)phenyl]pyrazine-2-carboxamide
CID 109292270
N-cycloheptyl-5-(cyclohexylamino)pyrazine-2-carboxamide
CID 109274884
N-cyclohexyl-5-(cyclohexylamino)pyrazine-2-carboxamide
CID 109274635

Frequently Asked Questions

What is the IUPAC name of 5-(2-tert-butylanilino)-N-cycloheptylpyrazine-2-carboxamide?
The IUPAC name of 5-(2-tert-butylanilino)-N-cycloheptylpyrazine-2-carboxamide (CID 109287489) is 5-(2-tert-butylanilino)-N-cycloheptylpyrazine-2-carboxamide.
What is the SMILES notation for 5-(2-tert-butylanilino)-N-cycloheptylpyrazine-2-carboxamide?
The canonical SMILES for 5-(2-tert-butylanilino)-N-cycloheptylpyrazine-2-carboxamide is CC(C)(C)c1ccccc1Nc1cnc(C(=O)NC2CCCCCC2)cn1.
What is the InChIKey of 5-(2-tert-butylanilino)-N-cycloheptylpyrazine-2-carboxamide?
The InChIKey is DBVFUCVTNUFGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-22(2,3)17-12-8-9-13-18(17)26-20-15-23-19(14-24-20)21(27)25-16-10-6-4-5-7-11-16/h8-9,12-16H,4-7,10-11H2,1-3H3,(H,24,26)(H,25,27).
What are the key properties of 5-(2-tert-butylanilino)-N-cycloheptylpyrazine-2-carboxamide?
5-(2-tert-butylanilino)-N-cycloheptylpyrazine-2-carboxamide has a molecular weight of 366.51 g/mol, XLogP of 4.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-tert-butylanilino)-N-cycloheptylpyrazine-2-carboxamide is sourced from PubChem (CID 109287489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).