5-(4-propan-2-ylanilino)-N,N-dipropylpyrazine-2-carboxamide

C20H28N4O — CID 109288923

IUPAC5-(4-propan-2-ylanilino)-N,N-dipropylpyrazine-2-carboxamide
SMILESCCCN(CCC)C(=O)c1cnc(Nc2ccc(C(C)C)cc2)cn1
InChIInChI=1S/C20H28N4O/c1-5-11-24(12-6-2)20(25)18-13-22-19(14-21-18)23-17-9-7-16(8-10-17)15(3)4/h7-10,13-15H,5-6,11-12H2,1-4H3,(H,22,23)
InChIKeyDJOJSBSGNVCWQY-UHFFFAOYSA-N
MW340.47 g/mol
LogP4.61
Rot. Bonds8

About 5-(4-propan-2-ylanilino)-N,N-dipropylpyrazine-2-carboxamide

5-(4-propan-2-ylanilino)-N,N-dipropylpyrazine-2-carboxamide (PubChem CID 109288923) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 5-(4-propan-2-ylanilino)-N,N-dipropylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(4-propan-2-ylanilino)-N,N-dipropylpyrazine-2-carboxamide
PubChem CID109288923
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name5-(4-propan-2-ylanilino)-N,N-dipropylpyrazine-2-carboxamide
SMILESCCCN(CCC)C(=O)c1cnc(Nc2ccc(C(C)C)cc2)cn1
InChIInChI=1S/C20H28N4O/c1-5-11-24(12-6-2)20(25)18-13-22-19(14-21-18)23-17-9-7-16(8-10-17)15(3)4/h7-10,13-15H,5-6,11-12H2,1-4H3,(H,22,23)
InChIKeyDJOJSBSGNVCWQY-UHFFFAOYSA-N
XLogP4.61
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dipropyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide
CID 109288967
5-(4-bromo-3-methylanilino)-N,N-dipropylpyrazine-2-carboxamide
CID 109288979
N-(2-methylpropyl)-5-(4-propan-2-ylanilino)pyrazine-2-carboxamide
CID 109272832
5-(2,5-dichloroanilino)-N,N-dipropylpyrazine-2-carboxamide
CID 109288990
azepan-1-yl-[5-(4-propan-2-ylanilino)pyrazin-2-yl]methanone
CID 109289223
5-(4-chloro-2-methylanilino)-N,N-dipropylpyrazine-2-carboxamide
CID 109288935
N,N-dipropyl-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide
CID 109289002
N-ethyl-5-hydrazinyl-N-propylpyrazine-2-carboxamide
CID 107378064
5-[2-(4-chlorophenyl)ethylamino]-N,N-dipropylpyrazine-2-carboxamide
CID 109285830
N,N-diethyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide
CID 109286810
N-benzyl-N-ethyl-5-(4-propan-2-yloxyanilino)pyrazine-2-carboxamide
CID 109282799
5-[(4-fluorophenyl)methylamino]-N,N-dipropylpyrazine-2-carboxamide
CID 109281705

Frequently Asked Questions

What is the IUPAC name of 5-(4-propan-2-ylanilino)-N,N-dipropylpyrazine-2-carboxamide?
The IUPAC name of 5-(4-propan-2-ylanilino)-N,N-dipropylpyrazine-2-carboxamide (CID 109288923) is 5-(4-propan-2-ylanilino)-N,N-dipropylpyrazine-2-carboxamide.
What is the SMILES notation for 5-(4-propan-2-ylanilino)-N,N-dipropylpyrazine-2-carboxamide?
The canonical SMILES for 5-(4-propan-2-ylanilino)-N,N-dipropylpyrazine-2-carboxamide is CCCN(CCC)C(=O)c1cnc(Nc2ccc(C(C)C)cc2)cn1.
What is the InChIKey of 5-(4-propan-2-ylanilino)-N,N-dipropylpyrazine-2-carboxamide?
The InChIKey is DJOJSBSGNVCWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-5-11-24(12-6-2)20(25)18-13-22-19(14-21-18)23-17-9-7-16(8-10-17)15(3)4/h7-10,13-15H,5-6,11-12H2,1-4H3,(H,22,23).
What are the key properties of 5-(4-propan-2-ylanilino)-N,N-dipropylpyrazine-2-carboxamide?
5-(4-propan-2-ylanilino)-N,N-dipropylpyrazine-2-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 4.61, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-propan-2-ylanilino)-N,N-dipropylpyrazine-2-carboxamide is sourced from PubChem (CID 109288923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).