5-(2-methylpropylamino)-N-quinolin-8-ylpyrazine-2-carboxamide

C18H19N5O — CID 109273088

IUPAC5-(2-methylpropylamino)-N-quinolin-8-ylpyrazine-2-carboxamide
SMILESCC(C)CNc1cnc(C(=O)Nc2cccc3cccnc23)cn1
InChIInChI=1S/C18H19N5O/c1-12(2)9-21-16-11-20-15(10-22-16)18(24)23-14-7-3-5-13-6-4-8-19-17(13)14/h3-8,10-12H,9H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyUZPWXWCUBBJVAR-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.35
Rot. Bonds5

About 5-(2-methylpropylamino)-N-quinolin-8-ylpyrazine-2-carboxamide

5-(2-methylpropylamino)-N-quinolin-8-ylpyrazine-2-carboxamide (PubChem CID 109273088) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 5-(2-methylpropylamino)-N-quinolin-8-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(2-methylpropylamino)-N-quinolin-8-ylpyrazine-2-carboxamide
PubChem CID109273088
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name5-(2-methylpropylamino)-N-quinolin-8-ylpyrazine-2-carboxamide
SMILESCC(C)CNc1cnc(C(=O)Nc2cccc3cccnc23)cn1
InChIInChI=1S/C18H19N5O/c1-12(2)9-21-16-11-20-15(10-22-16)18(24)23-14-7-3-5-13-6-4-8-19-17(13)14/h3-8,10-12H,9H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyUZPWXWCUBBJVAR-UHFFFAOYSA-N
XLogP3.35
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-methylpropylamino)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109181365
5-[(2-methylphenyl)methylamino]-N-quinolin-8-ylpyrazine-2-carboxamide
CID 109280202
5-(2-ethylanilino)-N-quinolin-8-ylpyrazine-2-carboxamide
CID 109291574
5-(2,6-dimethylanilino)-N-quinolin-8-ylpyrazine-2-carboxamide
CID 109291330
5-chloro-N-quinolin-8-ylpyrazine-2-carboxamide
CID 103817057
N-propan-2-yl-5-(quinolin-8-ylamino)pyrazine-2-carboxamide
CID 109271325
N-quinolin-8-ylpyrazine-2-carboxamide
CID 139088852
N-(2-methoxyphenyl)-5-(quinolin-8-ylamino)pyrazine-2-carboxamide
CID 109293403
4-(3-methylbutylamino)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109217470
5-(3-chloro-4-methylanilino)-N-quinolin-8-ylpyrazine-2-carboxamide
CID 109293181
N-(2,5-dichlorophenyl)-5-(2-methylpropylamino)pyrazine-2-carboxamide
CID 109273098
N-(2-methylpropyl)-N'-quinolin-8-yloxamide
CID 47225581

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropylamino)-N-quinolin-8-ylpyrazine-2-carboxamide?
The IUPAC name of 5-(2-methylpropylamino)-N-quinolin-8-ylpyrazine-2-carboxamide (CID 109273088) is 5-(2-methylpropylamino)-N-quinolin-8-ylpyrazine-2-carboxamide.
What is the SMILES notation for 5-(2-methylpropylamino)-N-quinolin-8-ylpyrazine-2-carboxamide?
The canonical SMILES for 5-(2-methylpropylamino)-N-quinolin-8-ylpyrazine-2-carboxamide is CC(C)CNc1cnc(C(=O)Nc2cccc3cccnc23)cn1.
What is the InChIKey of 5-(2-methylpropylamino)-N-quinolin-8-ylpyrazine-2-carboxamide?
The InChIKey is UZPWXWCUBBJVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-12(2)9-21-16-11-20-15(10-22-16)18(24)23-14-7-3-5-13-6-4-8-19-17(13)14/h3-8,10-12H,9H2,1-2H3,(H,21,22)(H,23,24).
What are the key properties of 5-(2-methylpropylamino)-N-quinolin-8-ylpyrazine-2-carboxamide?
5-(2-methylpropylamino)-N-quinolin-8-ylpyrazine-2-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropylamino)-N-quinolin-8-ylpyrazine-2-carboxamide is sourced from PubChem (CID 109273088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).