N-(2-methylpropyl)-5-(4-propan-2-ylanilino)pyrazine-2-carboxamide

C18H24N4O — CID 109272832

IUPACN-(2-methylpropyl)-5-(4-propan-2-ylanilino)pyrazine-2-carboxamide
SMILESCC(C)CNC(=O)c1cnc(Nc2ccc(C(C)C)cc2)cn1
InChIInChI=1S/C18H24N4O/c1-12(2)9-21-18(23)16-10-20-17(11-19-16)22-15-7-5-14(6-8-15)13(3)4/h5-8,10-13H,9H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyQTVLTKHELUEAAI-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.73
Rot. Bonds6

About N-(2-methylpropyl)-5-(4-propan-2-ylanilino)pyrazine-2-carboxamide

N-(2-methylpropyl)-5-(4-propan-2-ylanilino)pyrazine-2-carboxamide (PubChem CID 109272832) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N-(2-methylpropyl)-5-(4-propan-2-ylanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-5-(4-propan-2-ylanilino)pyrazine-2-carboxamide
PubChem CID109272832
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN-(2-methylpropyl)-5-(4-propan-2-ylanilino)pyrazine-2-carboxamide
SMILESCC(C)CNC(=O)c1cnc(Nc2ccc(C(C)C)cc2)cn1
InChIInChI=1S/C18H24N4O/c1-12(2)9-21-18(23)16-10-20-17(11-19-16)22-15-7-5-14(6-8-15)13(3)4/h5-8,10-13H,9H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyQTVLTKHELUEAAI-UHFFFAOYSA-N
XLogP3.73
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-propan-2-ylanilino)-N,N-dipropylpyrazine-2-carboxamide
CID 109288923
azepan-1-yl-[5-(4-propan-2-ylanilino)pyrazin-2-yl]methanone
CID 109289223
methyl 4-[[5-(3-methylbutylcarbamoyl)pyrazin-2-yl]amino]benzoate
CID 109287835
N-(2-fluorophenyl)-5-(4-propan-2-ylanilino)pyrazine-2-carboxamide
CID 109292042
N-[2-(3-methoxyphenyl)ethyl]-5-(4-propan-2-ylanilino)pyrazine-2-carboxamide
CID 109284747
5-(butylamino)-N-(2-methylpropyl)pyrazine-2-carboxamide
CID 109272533
5-[(4-methylphenyl)methylamino]-N-(2-methylpropyl)pyrazine-2-carboxamide
CID 109272750
N-(2-methoxy-5-methylphenyl)-5-(4-propan-2-ylanilino)pyrazine-2-carboxamide
CID 109292055
5-(2,4-dimethoxyanilino)-N-(2-methylpropyl)pyrazine-2-carboxamide
CID 109272862
N-(3-methylbutyl)-5-(4-phenoxyanilino)pyrazine-2-carboxamide
CID 109287846
N-(2-methylpropyl)-5-(pentylamino)pyrazine-2-carboxamide
CID 109272804
5-(4-acetylanilino)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109181147

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-5-(4-propan-2-ylanilino)pyrazine-2-carboxamide?
The IUPAC name of N-(2-methylpropyl)-5-(4-propan-2-ylanilino)pyrazine-2-carboxamide (CID 109272832) is N-(2-methylpropyl)-5-(4-propan-2-ylanilino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-5-(4-propan-2-ylanilino)pyrazine-2-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-5-(4-propan-2-ylanilino)pyrazine-2-carboxamide is CC(C)CNC(=O)c1cnc(Nc2ccc(C(C)C)cc2)cn1.
What is the InChIKey of N-(2-methylpropyl)-5-(4-propan-2-ylanilino)pyrazine-2-carboxamide?
The InChIKey is QTVLTKHELUEAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-12(2)9-21-18(23)16-10-20-17(11-19-16)22-15-7-5-14(6-8-15)13(3)4/h5-8,10-13H,9H2,1-4H3,(H,20,22)(H,21,23).
What are the key properties of N-(2-methylpropyl)-5-(4-propan-2-ylanilino)pyrazine-2-carboxamide?
N-(2-methylpropyl)-5-(4-propan-2-ylanilino)pyrazine-2-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-5-(4-propan-2-ylanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 109272832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).